data_2n7b_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 2n7b _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.56 130.92 48.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.12 10.8 85.23 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.068 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.46 132.86 54.99 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.572 1.186 . . . . 0.0 110.419 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.63 -8.35 79.94 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.65 -0.528 . . . . 0.0 112.04 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -101.85 106.7 17.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 117.646 0.723 . . . . 0.0 109.833 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.28 161.36 38.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.107 0.479 . . . . 0.0 110.658 176.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -146.91 145.72 29.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.599 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -128.1 131.0 49.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.76 158.23 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.024 0.529 . . . . 0.0 110.373 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -54.7 127.18 27.02 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.72 -28.17 61.57 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 tp -153.24 122.37 6.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 120.953 0.406 . . . . 0.0 109.906 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.7 t -111.39 127.2 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.305 1.1 p -113.89 128.04 56.23 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 169.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.92 147.88 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.28 155.82 39.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.033 0.444 . . . . 0.0 110.628 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.18 128.81 36.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.442 -0.786 . . . . 0.0 109.992 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.13 59.21 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 118.62 -1.1 . . . . 0.0 114.675 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.92 179.7 5.92 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.618 1.709 . . . . 0.0 111.426 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.0 p -102.09 169.0 9.02 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.92 148.8 12.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 C-N-CA 124.305 1.042 . . . . 0.0 110.535 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -100.92 143.76 30.69 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.654 0.782 . . . . 0.0 109.565 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.6 t -132.21 112.17 14.35 Favored Pre-proline 0 N--CA 1.456 -0.173 0 C-N-CA 123.147 0.579 . . . . 0.0 110.534 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.39 136.3 19.45 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.75 2.3 . . . . 0.0 110.393 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -148.78 147.5 28.87 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.747 0.419 . . . . 0.0 110.164 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -147.73 155.72 42.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.487 0.715 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -150.88 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.036 0.446 . . . . 0.0 112.176 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 t -148.67 153.55 38.43 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 122.583 0.353 . . . . 0.0 111.192 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -153.19 158.48 32.8 Favored Pre-proline 0 CA--C 1.53 0.2 0 C-N-CA 124.536 1.134 . . . . 0.0 113.167 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -64.12 155.38 65.22 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.011 2.474 . . . . 0.0 110.69 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.3 pt20 -82.29 17.41 1.69 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -94.5 152.86 18.23 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.65 2.95 89.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.181 -0.789 . . . . 0.0 114.35 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.0 p-90 -150.3 176.1 11.19 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.596 1.198 . . . . 0.0 111.368 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -144.68 161.52 38.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -60.79 -22.46 64.13 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.1 t -74.73 -22.4 58.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.086 -0.384 . . . . 0.0 111.59 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -90.47 120.76 68.95 Favored Pre-proline 0 C--O 1.232 0.153 0 C-N-CA 122.896 0.479 . . . . 0.0 111.979 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.05 152.99 41.19 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 123.088 2.525 . . . . 0.0 110.372 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.55 152.94 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -136.27 131.93 35.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.63 0.253 . . . . 0.0 110.669 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 156.99 15.93 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -150.07 146.41 26.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.59 147.75 44.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.27 0.628 . . . . 0.0 111.861 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -144.61 153.57 41.92 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.056 0.542 . . . . 0.0 110.564 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -75.19 147.39 40.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 O-C-N 121.988 -0.445 . . . . 0.0 110.34 179.736 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.9 160.35 46.19 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.652 2.902 . . . . 0.0 109.904 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -79.16 -20.6 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 O-C-N 122.083 -0.386 . . . . 0.0 110.056 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.12 145.91 13.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.841 0.456 . . . . 0.0 109.8 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.333 -0.127 0 CA-C-O 120.727 0.298 . . . . 0.0 111.637 178.125 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.46 0.047 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -55.19 140.34 39.01 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 122.791 0.437 . . . . 0.0 111.143 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -25.03 63.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.683 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -82.67 -5.72 59.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.003 0.365 . . . . 0.0 110.852 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.0 p -125.12 5.97 7.88 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.56 119.87 9.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.26 -13.38 4.72 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.49 -0.617 . . . . 0.0 113.366 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -90.67 -28.97 18.01 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.47 1.135 . . . . 0.0 111.349 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -106.88 127.42 53.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -146.46 142.3 27.98 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.76 154.41 39.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.474 0.709 . . . . 0.0 109.75 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 94' ' ' SER . 15.4 mt -132.54 172.98 11.81 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.967 0.907 . . . . 0.0 110.346 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.75 -176.79 52.45 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 116.564 -0.289 . . . . 0.0 112.583 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -88.5 141.26 28.68 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.52 -40.93 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.026 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -82.13 -6.96 59.58 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.74 0.416 . . . . 0.0 111.073 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.9 t -97.04 7.71 46.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.376 0.67 . . . . 0.0 111.462 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.91 33.27 22.94 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.242 0.617 . . . . 0.0 112.452 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.19 127.44 32.04 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.121 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.465 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -111.43 13.64 21.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.834 0.454 . . . . 0.0 111.03 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.68 149.6 5.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.31 0.644 . . . . 0.0 111.033 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.9 tp -134.75 151.1 50.72 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.568 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.426 ' HB2' HD11 ' A' ' 83' ' ' LEU . 16.5 t -125.99 136.53 53.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.406 0.682 . . . . 0.0 109.862 173.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.57 137.52 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -127.17 147.96 50.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.666 0.386 . . . . 0.0 110.156 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.78 52.49 12.69 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 142.31 42.21 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -174.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -137.88 161.71 35.91 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 124.399 1.08 . . . . 0.0 109.664 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.55 -15.21 16.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.09 -4.46 59.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.301 0.5 . . . . 0.0 111.663 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.28 -17.82 22.26 Favored 'General case' 0 N--CA 1.461 0.103 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -67.93 134.69 51.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.37 -148.94 20.3 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 t -125.47 153.49 43.45 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.778 0.431 . . . . 0.0 110.828 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -140.73 161.1 38.59 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.369 1.068 . . . . 0.0 111.56 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -144.44 156.24 44.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -104.9 160.35 15.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -140.61 150.9 44.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 118.263 0.483 . . . . 0.0 110.502 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.52 133.43 53.33 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.342 1.057 . . . . 0.0 110.321 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -139.03 131.22 28.18 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -153.62 110.99 3.48 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.82 -123.78 34.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -84.81 -7.68 59.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.717 0.407 . . . . 0.0 111.717 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.4 tpp -66.93 136.92 56.1 Favored 'General case' 0 N--CA 1.457 -0.103 0 O-C-N 121.724 -0.61 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -149.51 123.99 9.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.899 1.28 . . . . 0.0 109.372 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -161.93 128.6 3.77 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.392 0.542 . . . . 0.0 111.433 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.1 m -95.44 129.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -82.06 78.11 8.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -148.4 166.01 29.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.3 p -76.85 158.19 30.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.436 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -142.16 -163.94 1.7 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.228 1.411 . . . . 0.0 109.707 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -49.48 10.56 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 124.939 1.296 . . . . 0.0 112.862 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.68 -15.9 3.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.87 139.12 39.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -136.55 141.25 43.35 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.094 0.558 . . . . 0.0 110.266 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -153.24 163.56 39.68 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 128' ' ' LYS . 21.5 ttmm -75.97 157.76 32.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.579 0.752 . . . . 0.0 111.811 -175.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -138.2 169.98 16.83 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.473 1.109 . . . . 0.0 110.963 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.5 tp -114.37 124.54 52.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.042 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.2 m -102.81 129.59 49.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.14 148.24 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 122.6 0.36 . . . . 0.0 110.277 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.82 155.09 45.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -176.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -134.91 143.05 38.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 C-N-CA 123.021 0.529 . . . . 0.0 110.371 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.56 147.42 37.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.69 151.3 37.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.08 -0.387 . . . . 0.0 111.046 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.17 -20.41 66.43 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.325 1.2 t . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 117.4 2.37 . . . . 0.0 117.4 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.01 133.27 54.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 172.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.08 12.07 84.98 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.007 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.93 130.7 42.39 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.548 1.174 . . . . 0.0 112.612 175.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.26 -8.29 80.07 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.636 -0.536 . . . . 0.0 112.289 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.34 107.29 18.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.558 0.679 . . . . 0.0 109.618 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.8 160.88 39.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.23 0.538 . . . . 0.0 110.557 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -146.49 147.18 30.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.224 0.609 . . . . 0.0 110.144 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -131.4 128.85 40.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.332 0.653 . . . . 0.0 109.247 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 159.59 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.128 0.571 . . . . 0.0 110.43 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -55.62 129.18 38.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -78.1 -25.68 47.67 Favored 'General case' 0 C--O 1.231 0.079 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -172.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -153.42 123.38 6.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.2 t -113.3 128.89 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -114.43 129.72 56.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 169.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.17 148.2 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.498 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.09 155.95 39.73 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.892 -0.505 . . . . 0.0 110.308 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.88 128.07 34.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.931 -0.481 . . . . 0.0 110.147 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.76 2.34 58.53 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.847 -0.974 . . . . 0.0 114.842 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.41 -179.4 5.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.43 1.615 . . . . 0.0 111.693 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.4 p -103.37 168.21 9.31 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.73 148.81 12.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 124.615 1.166 . . . . 0.0 110.643 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -101.56 142.95 32.15 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.607 0.763 . . . . 0.0 109.984 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.61 111.66 15.01 Favored Pre-proline 0 C--O 1.232 0.159 0 C-N-CA 123.013 0.525 . . . . 0.0 110.696 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.34 137.12 20.58 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.853 2.369 . . . . 0.0 110.061 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.476 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -149.39 144.07 26.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.187 0.595 . . . . 0.0 110.169 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.9 m -144.84 153.63 41.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.832 0.853 . . . . 0.0 110.346 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -151.39 171.77 16.98 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 121.881 -0.512 . . . . 0.0 111.61 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -148.13 155.03 40.96 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -152.23 161.48 29.25 Favored Pre-proline 0 N--CA 1.454 -0.256 0 C-N-CA 124.222 1.009 . . . . 0.0 113.7 -175.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.78 151.73 62.03 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.232 2.621 . . . . 0.0 111.972 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.26 35.99 0.87 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.533 0.733 . . . . 0.0 112.558 -176.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.43 156.83 44.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.61 4.06 83.3 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.934 -0.37 . . . . 0.0 112.373 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.432 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -152.12 175.74 12.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.689 0.745 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -144.89 164.02 32.35 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -63.28 -20.3 65.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.886 0.474 . . . . 0.0 110.705 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -77.55 -15.98 58.93 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.64 120.74 56.73 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.497 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.51 152.82 43.87 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.916 2.411 . . . . 0.0 110.448 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -75.38 153.04 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -136.18 130.18 32.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 122.081 -0.387 . . . . 0.0 110.486 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.45 157.09 15.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -149.95 151.5 33.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -127.19 148.29 50.19 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.459 0.703 . . . . 0.0 111.661 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -149.3 157.44 43.34 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 56.7 mtt-85 -74.88 152.11 38.91 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.119 178.751 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.94 156.76 55.97 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.808 2.339 . . . . 0.0 109.461 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -77.62 -21.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.733 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.82 145.04 13.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.929 0.491 . . . . 0.0 110.033 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.461 0.097 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 177.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.234 0.271 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.49 141.77 29.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.898 0.38 . . . . 0.0 111.418 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -24.12 62.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.373 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -84.17 -4.38 58.77 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.377 -0.202 . . . . 0.0 111.185 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.4 p -125.98 6.01 7.26 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 178.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.08 119.59 8.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.79 -14.2 4.7 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.134 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -89.39 -27.04 20.7 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.446 1.123 . . . . 0.0 111.616 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -110.3 128.34 55.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -147.29 142.85 27.61 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.96 154.4 39.35 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.763 0.825 . . . . 0.0 109.894 175.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -132.6 176.14 8.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.241 1.016 . . . . 0.0 110.536 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.19 -178.68 51.19 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 121.156 0.309 . . . . 0.0 112.876 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.08 132.09 34.43 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.86 -39.14 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.603 0.761 . . . . 0.0 111.165 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -84.15 -6.52 59.41 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.396 0.278 . . . . 0.0 110.855 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 t -97.57 10.65 39.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.62 34.35 24.32 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.138 0.575 . . . . 0.0 112.327 -175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -79.68 126.99 31.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.865 -0.522 . . . . 0.0 111.955 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.476 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.03 14.73 20.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.058 0.543 . . . . 0.0 110.819 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 m -53.96 151.09 7.06 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.188 0.595 . . . . 0.0 111.017 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.23 151.15 49.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.426 -174.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.412 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.9 t -126.07 134.01 51.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.275 0.63 . . . . 0.0 109.584 173.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.35 136.43 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -128.48 152.51 48.16 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 52.84 41.55 31.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 144.23 27.87 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -171.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.39 162.16 35.98 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 124.96 1.304 . . . . 0.0 109.295 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -59.8 -14.55 15.3 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -173.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -83.86 -2.35 56.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.861 0.464 . . . . 0.0 111.794 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -96.17 -18.08 20.36 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 118.374 0.533 . . . . 0.0 109.677 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.18 133.96 50.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -149.2 20.76 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.4 t -125.81 153.28 44.29 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 116.976 0.388 . . . . 0.0 110.846 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 63.2 m-85 -140.89 160.17 40.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.32 1.048 . . . . 0.0 111.489 -176.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -141.26 155.82 45.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -101.68 160.37 14.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -141.73 150.6 42.02 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 118.222 0.465 . . . . 0.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -123.55 132.31 53.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.284 1.033 . . . . 0.0 110.254 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -138.85 131.07 28.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -154.11 111.94 3.51 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.06 -123.81 34.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 72.1 m -85.17 -7.04 59.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.002 0.521 . . . . 0.0 112.323 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.84 136.2 52.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.209 0.459 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.52 122.84 10.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.666 1.186 . . . . 0.0 109.182 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -160.16 135.09 7.81 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.02 0.373 . . . . 0.0 110.555 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -106.64 135.01 48.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.115 0.566 . . . . 0.0 109.481 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -86.52 78.45 9.2 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -149.02 161.88 41.04 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.223 1.009 . . . . 0.0 109.678 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -80.27 147.26 31.25 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -135.63 -164.6 1.57 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.567 1.547 . . . . 0.0 110.461 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -50.5 6.57 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.942 1.297 . . . . 0.0 113.005 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.52 -15.17 3.19 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -80.63 136.5 36.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -134.78 141.17 46.38 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.367 0.53 . . . . 0.0 110.004 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 t -153.85 162.13 41.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -76.64 155.98 33.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.821 0.848 . . . . 0.0 111.905 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -136.62 171.94 13.75 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.323 1.049 . . . . 0.0 111.225 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.6 tp -114.45 123.88 50.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.732 0.813 . . . . 0.0 109.764 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.8 m -101.36 129.9 47.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.7 t -107.02 148.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.25 155.1 46.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.95 142.59 39.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 123.217 0.607 . . . . 0.0 110.178 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.35 146.35 36.56 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.01 150.92 38.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.716 -0.615 . . . . 0.0 110.724 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.532 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.29 65.77 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.2 t . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 174.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -57.68 135.33 56.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.5 9.45 86.84 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-O 119.614 -0.548 . . . . 0.0 112.815 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -55.27 131.95 46.7 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.504 1.152 . . . . 0.0 112.506 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.63 79.4 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 119.46 -0.633 . . . . 0.0 111.854 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.55 106.93 18.49 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 117.668 0.734 . . . . 0.0 109.991 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.09 160.98 39.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.414 0.626 . . . . 0.0 110.64 175.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.88 147.23 30.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.576 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -129.58 130.78 46.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -152.65 159.89 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.919 0.488 . . . . 0.0 110.237 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.97 127.59 29.6 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.0 -27.04 59.98 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -154.24 123.35 6.41 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.4 t -111.98 128.08 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.297 1.1 p -114.19 127.69 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 169.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -133.53 146.67 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.0 0.52 . . . . 0.0 110.044 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.53 155.86 40.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.164 0.507 . . . . 0.0 110.686 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.36 127.7 33.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 121.537 -0.727 . . . . 0.0 109.81 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.95 58.9 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.87 -0.961 . . . . 0.0 114.923 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.08 179.05 6.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.286 1.543 . . . . 0.0 111.653 176.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -101.95 168.96 9.07 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.7 156.09 5.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 124.196 0.998 . . . . 0.0 110.607 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -108.82 142.69 39.03 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.048 0.939 . . . . 0.0 109.782 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.7 112.49 15.05 Favored Pre-proline 0 N--CA 1.456 -0.157 0 C-N-CA 122.958 0.503 . . . . 0.0 110.82 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.27 136.07 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.024 2.482 . . . . 0.0 110.363 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.5 t -148.38 148.47 30.38 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.196 0.598 . . . . 0.0 110.324 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -148.22 155.07 40.92 Favored 'General case' 0 CA--C 1.524 -0.058 0 C-N-CA 123.311 0.644 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -150.83 169.19 22.29 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -146.83 154.13 40.98 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.6 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -151.51 160.66 31.43 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.56 151.88 59.23 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.356 2.704 . . . . 0.0 111.924 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.431 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.4 pt20 -89.63 35.94 0.84 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -130.15 155.68 45.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.9 3.39 80.05 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.005 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.431 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -151.52 176.21 11.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.547 0.673 . . . . 0.0 111.232 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -145.57 164.13 32.63 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -62.24 -22.0 65.62 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.016 0.526 . . . . 0.0 111.767 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.6 m -76.3 -16.68 59.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.625 0.37 . . . . 0.0 111.979 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.62 119.97 61.52 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 152.4 44.83 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.006 2.471 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.87 153.15 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -136.11 128.92 31.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.18 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.74 157.16 16.81 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -151.1 147.45 27.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -119.32 148.02 43.64 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.275 0.63 . . . . 0.0 111.641 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -144.45 152.93 41.33 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.213 0.605 . . . . 0.0 111.389 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -75.13 146.73 41.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.32 157.81 58.14 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.242 2.628 . . . . 0.0 109.538 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 m -78.13 -22.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 O-C-N 121.815 -0.553 . . . . 0.0 109.547 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.27 146.6 13.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.02 0.528 . . . . 0.0 109.601 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.231 0.121 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.297 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -54.95 140.97 35.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.969 0.414 . . . . 0.0 111.544 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.99 63.01 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -82.38 -5.63 58.75 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 122.235 -0.291 . . . . 0.0 110.856 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.9 p -125.53 4.62 7.59 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.92 120.37 10.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -12.82 7.11 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.459 -0.634 . . . . 0.0 113.188 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -92.95 -29.16 16.02 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.336 1.068 . . . . 0.0 111.483 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.4 m-85 -106.35 127.95 53.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.73 141.14 26.45 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.41 154.46 38.78 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.072 0.549 . . . . 0.0 109.686 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.404 HD13 ' HB2' ' A' ' 94' ' ' SER . 13.8 mt -131.03 172.35 12.19 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 124.054 0.941 . . . . 0.0 110.199 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.88 -177.47 52.02 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 122.899 0.285 . . . . 0.0 113.107 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.47 142.23 28.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.16 -41.8 81.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.02 0.528 . . . . 0.0 111.056 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -81.77 -6.23 58.87 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.487 0.315 . . . . 0.0 110.803 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -97.13 7.29 46.91 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.299 0.639 . . . . 0.0 111.35 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.65 32.89 21.87 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.469 0.708 . . . . 0.0 112.506 -176.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.54 126.82 31.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.965 -0.459 . . . . 0.0 111.095 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.44 14.29 22.59 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.938 0.495 . . . . 0.0 111.065 174.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -53.0 150.23 5.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.363 0.665 . . . . 0.0 110.946 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.0 tp -135.88 150.12 49.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.671 -173.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.404 ' HB2' HD13 ' A' ' 83' ' ' LEU . 26.9 t -125.43 136.27 53.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.219 0.608 . . . . 0.0 109.58 172.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.78 137.52 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 171.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -126.64 147.54 49.9 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.9 t0 47.96 52.97 12.21 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.21 142.03 44.35 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -136.13 161.78 34.76 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.156 0.982 . . . . 0.0 109.341 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.8 -15.89 24.03 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.02 -4.01 59.0 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.189 0.449 . . . . 0.0 111.499 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -93.18 -17.52 23.62 Favored 'General case' 0 N--CA 1.46 0.073 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -68.43 134.37 50.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.083 0.553 . . . . 0.0 109.711 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.31 -149.19 20.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -125.29 151.94 45.33 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 122.831 0.452 . . . . 0.0 110.956 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -139.9 160.98 38.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.447 1.099 . . . . 0.0 111.219 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -143.77 155.56 44.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -102.57 160.63 14.4 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -140.85 150.39 43.2 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.244 0.474 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.61 133.27 53.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.436 1.094 . . . . 0.0 110.07 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -138.75 130.98 28.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 169.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -154.29 110.51 3.26 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.21 38.55 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -172.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -83.1 -6.84 59.64 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 tpp -68.4 137.11 54.28 Favored 'General case' 0 C--N 1.34 0.181 0 O-C-N 121.937 -0.477 . . . . 0.0 111.078 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -149.1 124.23 10.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.732 1.213 . . . . 0.0 109.333 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -162.2 130.71 4.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.162 0.437 . . . . 0.0 111.435 174.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.1 m -98.04 130.26 44.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -82.89 76.86 9.7 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.998 1.111 . . . . 0.0 113.998 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -148.93 164.52 34.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.972 0.909 . . . . 0.0 108.721 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.6 p -76.74 157.08 31.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.29 -163.52 1.53 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.196 1.398 . . . . 0.0 110.02 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.07 -48.97 6.26 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.177 1.391 . . . . 0.0 112.748 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.36 -15.9 2.79 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -76.67 141.44 40.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.63 141.35 43.22 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.133 0.573 . . . . 0.0 110.938 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.3 t -155.5 164.21 38.99 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -78.65 156.76 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.628 0.771 . . . . 0.0 111.706 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.01 171.53 14.37 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.588 1.155 . . . . 0.0 111.069 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.89 121.88 44.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.514 0.726 . . . . 0.0 110.07 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 56.7 m -99.39 129.0 45.56 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 171.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -106.32 148.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 173.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.25 155.32 46.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -135.44 143.0 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.097 0 C-N-CA 123.002 0.521 . . . . 0.0 110.026 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -141.52 146.03 35.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.39 151.02 39.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 110.798 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.58 -21.93 66.63 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.469 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 172.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -57.88 132.73 54.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 172.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.43 10.41 85.65 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.676 -0.513 . . . . 0.0 112.853 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -57.65 133.11 55.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.629 1.215 . . . . 0.0 110.245 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.95 76.01 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-O 119.324 -0.709 . . . . 0.0 111.995 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -102.13 106.14 16.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.045 0.923 . . . . 0.0 110.365 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.43 159.94 41.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.47 0.653 . . . . 0.0 110.795 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -146.46 145.78 30.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.726 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -126.63 126.51 43.71 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.365 0.666 . . . . 0.0 109.619 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.38 158.17 4.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 122.716 0.406 . . . . 0.0 111.453 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -55.34 128.71 35.44 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.675 0.79 . . . . 0.0 109.72 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.03 -27.73 60.18 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -174.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.7 tp -153.66 124.03 7.06 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.2 t -113.05 128.67 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.2 p -113.94 129.73 56.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 169.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.63 147.23 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.229 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.53 40.14 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -73.94 129.05 37.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.567 -0.708 . . . . 0.0 109.796 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.1 1.11 58.37 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.738 -1.035 . . . . 0.0 114.859 175.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.99 179.15 6.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.351 1.576 . . . . 0.0 111.267 177.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -102.67 169.37 8.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -155.13 153.97 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.287 1.035 . . . . 0.0 110.57 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -108.01 142.93 37.4 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.041 0.936 . . . . 0.0 109.741 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -132.26 112.71 14.39 Favored Pre-proline 0 N--CA 1.456 -0.127 0 C-N-CA 122.935 0.494 . . . . 0.0 110.677 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.13 136.53 20.26 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.701 2.267 . . . . 0.0 110.255 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.456 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 49.7 t -150.13 142.58 24.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.313 0.645 . . . . 0.0 110.362 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.1 m -143.23 154.65 44.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.743 0.817 . . . . 0.0 110.448 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -151.02 171.27 17.57 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.608 0.64 . . . . 0.0 112.004 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.3 t -148.81 155.28 40.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.77 161.6 28.71 Favored Pre-proline 0 C--O 1.235 0.321 0 C-N-CA 123.978 0.911 . . . . 0.0 113.456 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.22 151.76 57.46 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.39 2.727 . . . . 0.0 111.654 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -89.58 35.88 0.83 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 112.309 -176.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.97 157.73 41.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.28 3.25 84.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.253 0.454 . . . . 0.0 112.081 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -151.47 175.02 12.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.573 0.686 . . . . 0.0 111.054 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -144.61 163.12 34.86 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.66 -22.49 65.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.041 0.537 . . . . 0.0 112.27 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.3 m -76.59 -16.22 59.64 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.106 -0.371 . . . . 0.0 111.973 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -97.92 119.94 61.16 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 122.775 0.43 . . . . 0.0 111.39 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.22 153.22 45.79 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.688 2.259 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -75.22 152.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -136.17 130.96 34.01 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.599 171.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.41 157.01 15.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -151.34 147.96 27.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -117.59 147.92 42.39 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.041 0.536 . . . . 0.0 112.099 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.69 153.25 43.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 75.3 mtt-85 -79.81 140.83 36.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.387 0 O-C-N 122.098 -0.376 . . . . 0.0 110.738 -177.346 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.16 155.89 60.38 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.035 2.49 . . . . 0.0 109.569 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.26 -20.58 13.41 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 O-C-N 121.88 -0.512 . . . . 0.0 109.995 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.83 146.61 14.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.003 0.521 . . . . 0.0 109.762 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.333 -0.12 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 177.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.074 -0.013 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -55.67 141.41 38.0 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.6 0.238 . . . . 0.0 111.468 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.61 -23.84 62.63 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -86.36 -3.5 59.0 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.12 -0.362 . . . . 0.0 111.157 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 p -124.42 4.59 8.37 Favored 'General case' 0 CA--C 1.524 -0.046 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.2 120.82 11.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.94 -13.93 4.02 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 123.662 0.648 . . . . 0.0 113.075 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -90.72 -30.45 17.07 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 118.72 1.26 . . . . 0.0 111.219 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -106.04 126.46 52.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 176.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.29 141.29 27.17 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 154.51 39.06 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.447 0.699 . . . . 0.0 109.48 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -131.67 171.68 13.18 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.93 0.892 . . . . 0.0 110.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.03 -178.5 53.79 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 121.035 0.242 . . . . 0.0 113.16 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -88.49 133.28 34.18 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.56 -39.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 111.262 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -82.72 -6.18 59.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.386 0.274 . . . . 0.0 110.702 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -97.35 8.64 44.19 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.197 0.599 . . . . 0.0 111.082 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.74 35.06 25.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.181 0.593 . . . . 0.0 112.438 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -79.02 129.01 33.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.456 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.71 14.06 17.45 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.046 0.538 . . . . 0.0 110.981 174.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -53.11 150.12 6.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.052 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.34 150.27 49.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.503 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.426 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.3 t -125.7 136.35 53.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.159 0.584 . . . . 0.0 109.783 172.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.56 136.97 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -127.27 148.12 50.22 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.915 0.486 . . . . 0.0 109.728 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 t0 48.47 50.12 17.27 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 139.28 50.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.403 0.281 . . . . 0.0 111.695 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -137.46 166.33 24.11 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.882 0.873 . . . . 0.0 110.011 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -59.66 -15.88 22.46 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -81.81 -4.68 57.02 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.565 0.621 . . . . 0.0 111.631 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -94.76 -17.72 21.91 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 117.923 0.329 . . . . 0.0 110.242 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -69.75 135.17 49.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.75 -149.58 21.34 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.4 153.07 43.98 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.763 0.425 . . . . 0.0 110.957 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 74.5 m-85 -140.43 160.44 39.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.172 0.989 . . . . 0.0 111.23 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.27 155.93 44.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -102.18 158.18 16.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.419 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.8 ttt85 -137.92 149.42 46.19 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.008 0.367 . . . . 0.0 110.948 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.17 132.01 53.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.765 1.226 . . . . 0.0 110.614 -175.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -138.74 132.31 30.53 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -153.79 112.31 3.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.7 -122.85 30.84 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -84.74 -11.07 56.57 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.242 0.617 . . . . 0.0 111.845 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 tpp -65.32 135.75 55.72 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 122.013 -0.429 . . . . 0.0 111.267 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -146.69 123.55 11.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.857 1.263 . . . . 0.0 109.571 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -160.36 141.42 12.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 174.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.419 ' HB3' HH11 ' A' ' 109' ' ' ARG . 76.1 p -119.42 133.17 55.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -84.39 78.3 9.84 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -174.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -146.75 161.68 40.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -77.79 156.39 30.54 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.407 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.8 mp0 -139.67 -164.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.348 1.459 . . . . 0.0 109.869 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.407 ' H ' ' HB3' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -43.59 -49.71 7.5 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.94 1.296 . . . . 0.0 112.939 -176.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.88 -14.5 3.12 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.71 138.96 38.52 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.17 141.3 42.19 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 123.009 0.524 . . . . 0.0 110.277 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 t -154.82 164.38 38.9 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.92 153.76 40.85 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.34 1.056 . . . . 0.0 111.56 -176.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -138.77 166.7 23.73 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.086 0.955 . . . . 0.0 110.779 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.29 121.84 46.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.502 0.721 . . . . 0.0 110.112 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.4 m -99.25 129.8 45.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.94 148.14 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.077 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 172.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.05 155.25 46.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -134.45 142.85 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 122.888 0.475 . . . . 0.0 110.225 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.8 t -141.75 146.62 36.21 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.162 0.585 . . . . 0.0 112.555 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.99 149.94 41.0 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.878 -0.514 . . . . 0.0 111.038 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.556 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.8 -25.21 67.14 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.013 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.0 OUTLIER . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -57.67 133.43 55.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.88 10.7 86.04 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.908 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.29 130.22 43.59 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.337 1.069 . . . . 0.0 112.479 175.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.21 80.33 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.718 -0.49 . . . . 0.0 111.941 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -102.04 107.3 18.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.864 0.832 . . . . 0.0 108.788 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.04 162.44 35.48 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -147.74 146.29 29.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.432 0.693 . . . . 0.0 109.464 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -126.06 127.02 45.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -152.41 157.25 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.537 0.335 . . . . 0.0 111.492 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -52.83 130.85 34.31 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.895 0.878 . . . . 0.0 110.375 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.77 -30.69 61.54 Favored 'General case' 0 N--CA 1.458 -0.06 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.9 tp -154.17 122.02 5.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.041 0.448 . . . . 0.0 109.979 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.6 t -109.58 128.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.1 p -114.8 128.78 56.49 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 169.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -133.7 147.15 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.221 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.66 155.63 40.28 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 110.601 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -73.8 127.59 33.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 121.445 -0.784 . . . . 0.0 109.618 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.56 1.43 58.99 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 118.871 -0.961 . . . . 0.0 115.077 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.56 -179.99 5.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.342 1.571 . . . . 0.0 111.515 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.6 p -103.55 168.94 8.83 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.29 155.0 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.396 1.078 . . . . 0.0 110.542 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -108.82 142.52 39.27 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 110.089 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.0 t -131.22 112.2 15.61 Favored Pre-proline 0 CA--C 1.528 0.102 0 C-N-CA 123.02 0.528 . . . . 0.0 110.668 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.49 135.98 18.87 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.729 2.286 . . . . 0.0 110.282 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.468 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -148.22 147.2 29.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.014 0.525 . . . . 0.0 110.334 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -147.28 155.81 42.38 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 123.25 0.62 . . . . 0.0 110.775 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -150.91 169.45 21.7 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.9 t -147.85 153.54 39.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.857 0.463 . . . . 0.0 111.111 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -154.44 160.36 31.0 Favored Pre-proline 0 N--CA 1.454 -0.265 0 C-N-CA 123.752 0.821 . . . . 0.0 113.105 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -59.35 154.23 48.45 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.164 2.576 . . . . 0.0 111.629 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.479 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -81.75 13.2 3.33 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 151.32 20.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.45 4.94 89.96 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.855 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.479 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.76 174.16 12.48 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.454 1.127 . . . . 0.0 111.258 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -145.04 163.26 34.78 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -59.05 -23.8 62.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -76.27 -16.21 59.84 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -96.76 120.14 62.41 Favored Pre-proline 0 C--O 1.232 0.16 0 C-N-CA 122.87 0.468 . . . . 0.0 111.289 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.63 152.28 37.71 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.954 2.436 . . . . 0.0 110.42 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -72.4 153.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -136.24 128.73 30.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.618 0.247 . . . . 0.0 110.573 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 156.51 16.52 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.599 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -149.96 146.47 27.05 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -118.27 145.95 44.66 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.947 0.499 . . . . 0.0 112.031 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -142.7 153.06 43.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -79.28 141.99 36.55 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 O-C-N 122.161 -0.337 . . . . 0.0 110.908 -177.629 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.14 159.1 54.32 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.458 2.772 . . . . 0.0 109.883 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.8 m -79.36 -20.55 12.51 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.075 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.5 146.2 13.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.232 0.158 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 177.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 CA--C 1.527 0.087 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -56.78 142.37 40.89 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 121.059 0.457 . . . . 0.0 111.261 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.64 -23.94 62.62 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -85.36 -3.39 58.82 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.792 0.269 . . . . 0.0 111.199 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.404 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -126.34 5.31 6.99 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.74 119.73 9.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.19 -13.91 5.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.336 -0.702 . . . . 0.0 113.356 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -90.34 -29.62 17.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 118.404 1.102 . . . . 0.0 111.314 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.3 m-85 -105.49 127.97 53.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 175.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -147.06 142.07 27.03 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.85 154.47 39.46 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.431 0.692 . . . . 0.0 109.431 175.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -133.55 172.66 12.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.963 0.905 . . . . 0.0 110.136 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.47 -178.13 53.2 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 121.186 0.325 . . . . 0.0 113.114 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.45 132.67 33.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.48 -40.0 86.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.393 0.677 . . . . 0.0 111.151 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -82.21 -8.5 59.65 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.572 0.349 . . . . 0.0 110.798 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -95.49 8.59 42.84 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.437 0.695 . . . . 0.0 111.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 56.96 34.03 24.24 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.15 0.58 . . . . 0.0 112.316 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -78.14 126.77 31.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.074 -0.391 . . . . 0.0 111.417 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.468 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -111.52 14.56 21.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.2 0.6 . . . . 0.0 111.169 174.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -53.31 150.05 6.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.094 0.558 . . . . 0.0 111.117 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.2 tp -134.9 149.59 50.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.698 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.432 ' HB2' HD13 ' A' ' 83' ' ' LEU . 23.5 t -125.4 135.66 52.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.262 0.625 . . . . 0.0 109.592 173.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.08 136.31 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -126.5 147.52 49.82 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.792 0.437 . . . . 0.0 109.839 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 47.61 53.37 11.27 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.92 141.84 43.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -137.24 164.16 29.18 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 124.477 1.111 . . . . 0.0 109.105 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.92 -15.66 33.5 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -173.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -82.31 -4.1 56.58 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.209 0.459 . . . . 0.0 111.793 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -93.71 -16.76 23.91 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -72.42 136.38 46.03 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.884 0.474 . . . . 0.0 109.816 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.36 -148.19 19.14 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.1 t -126.97 151.46 48.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.713 0.405 . . . . 0.0 110.887 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -139.1 162.26 35.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.321 1.048 . . . . 0.0 110.776 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -144.56 157.77 44.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -104.22 160.08 15.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -139.84 148.0 41.51 Favored 'General case' 0 C--N 1.335 -0.026 0 CA-C-N 118.184 0.447 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.5 tp -121.08 134.39 55.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.45 1.1 . . . . 0.0 110.084 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.6 132.49 29.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 169.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -155.09 110.95 3.14 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -123.12 32.15 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -83.68 -11.92 56.58 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.05 0.54 . . . . 0.0 111.757 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.8 tpp -66.09 136.95 56.69 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 121.828 -0.545 . . . . 0.0 111.681 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -148.41 124.01 10.43 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.067 1.347 . . . . 0.0 109.331 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -160.79 127.58 4.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.354 0.525 . . . . 0.0 111.361 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -96.0 133.09 40.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.199 0.6 . . . . 0.0 109.456 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -84.25 78.57 9.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -146.69 158.09 43.83 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.453 1.101 . . . . 0.0 109.029 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.0 t -81.29 150.28 28.6 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.96 -163.18 1.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.223 1.409 . . . . 0.0 110.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -42.53 -48.6 5.34 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 125.392 1.477 . . . . 0.0 113.187 -176.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 -13.09 3.22 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -78.2 142.39 37.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -138.49 140.07 39.04 Favored 'General case' 0 C--N 1.337 0.057 0 C-N-CA 122.801 0.441 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 t -155.21 164.75 38.38 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -72.63 153.44 41.23 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -175.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.4 168.34 19.82 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.255 1.022 . . . . 0.0 110.986 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.9 tp -113.38 127.88 56.27 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.443 0.697 . . . . 0.0 109.847 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.1 m -103.89 133.36 49.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.13 148.34 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.21 45.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.97 142.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 C-N-CA 122.879 0.472 . . . . 0.0 110.189 -176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.42 146.31 36.39 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.71 149.36 39.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 122.22 -0.3 . . . . 0.0 110.885 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.537 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.44 -22.6 66.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 173.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.316 1.2 t . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 12.0 t80 -58.56 134.43 56.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 172.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.36 9.03 87.37 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.597 -0.557 . . . . 0.0 112.543 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -57.06 132.32 52.54 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.62 1.21 . . . . 0.0 112.26 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 -8.4 75.23 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 119.553 -0.582 . . . . 0.0 111.958 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.65 103.29 14.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 117.807 0.804 . . . . 0.0 110.777 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.69 160.59 39.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.503 0.668 . . . . 0.0 110.62 176.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -146.85 146.33 30.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.568 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -126.06 126.81 44.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.19 157.57 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.664 0.269 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -53.03 130.77 34.91 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.711 0.804 . . . . 0.0 110.159 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.06 -29.4 60.72 Favored 'General case' 0 C--O 1.23 0.07 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -155.5 121.75 5.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.996 0.427 . . . . 0.0 110.24 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.1 t -109.24 121.83 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 p -106.02 127.26 53.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.37 144.85 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.04 155.87 39.84 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 110.768 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -72.17 128.22 34.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.668 -0.645 . . . . 0.0 110.032 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.4 1.99 60.5 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 118.81 -0.995 . . . . 0.0 114.78 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.06 179.22 6.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.387 1.593 . . . . 0.0 111.69 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -103.62 168.29 9.24 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -175.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -155.0 148.92 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.211 1.004 . . . . 0.0 111.044 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -102.2 142.57 33.23 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.705 0.802 . . . . 0.0 110.047 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.2 t -131.2 111.47 15.49 Favored Pre-proline 0 N--CA 1.455 -0.176 0 C-N-CA 122.993 0.517 . . . . 0.0 110.683 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.75 135.71 19.95 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.874 2.382 . . . . 0.0 110.1 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.0 t -148.61 147.01 28.49 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.774 0.43 . . . . 0.0 110.363 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.5 t -148.18 155.63 41.62 Favored 'General case' 0 C--N 1.335 -0.042 0 C-N-CA 122.788 0.435 . . . . 0.0 110.268 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -150.86 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.274 0.559 . . . . 0.0 112.492 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -148.19 154.58 40.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.45 159.96 31.92 Favored Pre-proline 0 N--CA 1.455 -0.222 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.96 152.05 53.45 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.177 2.585 . . . . 0.0 111.973 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -89.83 36.11 0.85 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 123.585 0.754 . . . . 0.0 112.494 -176.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.65 155.61 45.57 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.84 4.4 82.38 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.654 -0.526 . . . . 0.0 112.244 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -152.07 174.98 13.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 117.732 0.766 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -143.18 162.62 35.11 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -61.41 -21.36 64.03 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -76.18 -23.38 54.69 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.513 0.325 . . . . 0.0 111.358 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -89.56 121.15 69.45 Favored Pre-proline 0 N--CA 1.454 -0.228 0 CA-C-O 119.066 -0.492 . . . . 0.0 111.42 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.95 153.54 42.1 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.726 2.284 . . . . 0.0 110.505 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.39 151.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -136.15 129.83 32.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.159 0.504 . . . . 0.0 110.474 172.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.38 157.79 15.72 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -151.8 148.28 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -118.1 148.06 42.67 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -145.69 155.95 43.32 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.365 0.666 . . . . 0.0 111.773 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.2 mtm180 -86.62 145.76 26.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -177.569 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -70.91 155.18 62.59 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.133 2.555 . . . . 0.0 110.041 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 m -77.62 -20.57 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.06 148.08 13.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.669 0.387 . . . . 0.0 109.994 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.232 0.149 0 C-N-CA 122.35 0.26 . . . . 0.0 111.46 178.694 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.457 -0.076 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.68 139.01 40.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -20.9 63.2 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.324 0.25 . . . . 0.0 111.436 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -89.03 -2.12 58.42 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.694 0.398 . . . . 0.0 111.295 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.0 p -126.27 5.15 7.04 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.49 120.74 11.69 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -175.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.35 -14.44 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.441 -0.644 . . . . 0.0 112.898 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -88.75 -31.28 18.49 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.519 1.159 . . . . 0.0 110.85 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -107.46 126.58 52.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -146.71 141.92 27.29 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.19 154.45 39.05 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.369 0.668 . . . . 0.0 109.78 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -131.33 172.24 12.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.002 0.921 . . . . 0.0 110.188 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.79 -179.23 52.76 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 121.066 0.259 . . . . 0.0 112.903 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.39 132.9 33.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.97 -39.81 85.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.544 0.738 . . . . 0.0 111.072 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -82.52 -7.3 59.64 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.469 0.308 . . . . 0.0 110.91 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -96.88 8.92 43.32 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.251 0.62 . . . . 0.0 111.108 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 56.86 34.14 24.29 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.271 0.629 . . . . 0.0 112.209 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.2 128.01 32.76 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.089 -0.382 . . . . 0.0 111.808 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -113.95 14.59 18.5 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 123.283 0.633 . . . . 0.0 111.153 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.7 m -52.96 150.26 5.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.926 0.49 . . . . 0.0 110.941 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.7 tp -135.65 149.05 49.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.636 -174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.407 ' HB2' HD12 ' A' ' 83' ' ' LEU . 20.6 t -124.05 134.29 53.45 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.33 0.652 . . . . 0.0 109.698 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.7 136.69 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.12 149.01 50.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.37 53.18 12.35 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 143.79 37.12 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -138.12 161.7 36.1 Favored 'General case' 0 CA--C 1.523 -0.079 0 C-N-CA 124.25 1.02 . . . . 0.0 109.447 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.69 -15.3 27.46 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -85.19 -2.42 58.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.971 0.509 . . . . 0.0 111.591 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -95.83 -18.5 20.33 Favored 'General case' 0 C--N 1.338 0.095 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.63 136.68 54.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.997 0.519 . . . . 0.0 109.868 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.36 -150.53 22.37 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.3 t -123.08 152.82 40.68 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.035 0.534 . . . . 0.0 110.601 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 59.0 m-85 -137.2 157.91 45.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.669 1.188 . . . . 0.0 112.608 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -144.03 153.39 42.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -101.58 157.43 16.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -136.29 149.79 48.61 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 122.644 0.378 . . . . 0.0 111.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tp -127.4 131.78 50.24 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.514 1.125 . . . . 0.0 110.178 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.34 131.35 27.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -154.11 112.19 3.54 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.22 -125.22 38.38 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.1 t -83.17 -11.28 58.04 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.875 0.47 . . . . 0.0 111.809 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.6 tpp -64.66 135.48 55.96 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 121.748 -0.595 . . . . 0.0 111.434 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -145.62 124.63 12.79 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.714 1.206 . . . . 0.0 109.251 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -161.82 150.47 15.44 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.9 p -133.81 136.26 44.35 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.12 78.34 9.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -170.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -148.05 154.36 40.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -65.11 156.15 32.55 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.19 -165.14 1.95 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.267 1.427 . . . . 0.0 109.474 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -48.82 20.26 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.66 -13.57 3.3 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.75 0.42 . . . . 0.0 111.937 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -75.49 142.68 42.84 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -139.23 138.23 36.65 Favored 'General case' 0 CA--C 1.524 -0.051 0 C-N-CA 123.188 0.595 . . . . 0.0 110.25 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 t -154.56 166.12 34.33 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.7 153.2 43.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.872 1.269 . . . . 0.0 112.037 -174.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -139.08 168.46 19.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.226 1.011 . . . . 0.0 110.626 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 19.3 tp -114.89 123.77 50.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.494 0.718 . . . . 0.0 109.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 73.8 m -99.48 131.98 45.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 170.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.46 148.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.66 155.07 46.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.23 143.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.627 0.371 . . . . 0.0 110.179 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -142.18 145.77 34.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.2 0.6 . . . . 0.0 112.475 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.19 149.61 40.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.018 -0.426 . . . . 0.0 111.0 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.43 -33.74 76.58 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.865 0.466 . . . . 0.0 110.19 176.247 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.323 0.8 OUTLIER . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 176.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.24 133.75 52.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.46 11.63 85.3 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 119.7 -0.5 . . . . 0.0 113.062 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -54.89 130.5 41.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.513 1.157 . . . . 0.0 112.64 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.75 -7.68 81.36 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.36 -0.689 . . . . 0.0 112.088 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -101.42 104.28 15.22 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.029 0.915 . . . . 0.0 110.219 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.86 162.93 34.25 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.307 0.575 . . . . 0.0 110.665 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.46 146.55 28.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.697 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -129.3 131.66 47.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -152.91 159.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 110.321 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.63 128.42 32.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -76.09 -26.61 56.63 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -155.3 122.36 5.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.855 0.462 . . . . 0.0 109.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.7 t -110.12 124.85 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -109.08 128.76 55.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.87 146.1 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.34 156.37 39.16 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.179 0.514 . . . . 0.0 110.851 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -73.48 128.54 35.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.721 -0.612 . . . . 0.0 110.019 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.01 2.29 60.99 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.723 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.16 178.35 6.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.487 1.644 . . . . 0.0 111.508 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -101.66 168.91 9.17 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -154.41 154.07 7.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.281 1.032 . . . . 0.0 110.698 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -107.34 141.95 37.9 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.638 0.775 . . . . 0.0 109.695 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.9 t -130.42 111.51 16.54 Favored Pre-proline 0 N--CA 1.455 -0.211 0 C-N-CA 123.12 0.568 . . . . 0.0 110.726 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.1 135.81 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.771 2.314 . . . . 0.0 110.305 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.8 t -148.64 147.94 29.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.747 0.419 . . . . 0.0 110.352 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -147.88 155.54 41.72 Favored 'General case' 0 C--O 1.23 0.04 0 C-N-CA 123.486 0.714 . . . . 0.0 110.365 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -150.68 169.72 20.94 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 t -146.82 152.81 39.36 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 122.78 0.432 . . . . 0.0 110.756 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -153.63 159.98 31.47 Favored Pre-proline 0 C--O 1.232 0.162 0 C-N-CA 124.018 0.927 . . . . 0.0 113.303 -175.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.33 153.38 53.97 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.349 2.699 . . . . 0.0 111.522 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.483 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -82.83 14.35 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -92.65 149.62 21.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.47 5.28 87.09 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.157 -0.802 . . . . 0.0 113.061 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.483 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -149.07 173.77 13.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.652 1.226 . . . . 0.0 111.197 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -143.63 162.28 36.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.16 -22.85 61.59 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -75.21 -22.31 58.03 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 122.212 -0.305 . . . . 0.0 111.581 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -89.66 120.94 69.52 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 122.831 0.452 . . . . 0.0 111.729 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 153.55 39.71 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.089 2.526 . . . . 0.0 110.171 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.12 153.26 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -135.94 127.77 29.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.88 157.44 17.31 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -151.08 148.35 28.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -122.12 148.55 44.76 Favored 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 122.978 0.511 . . . . 0.0 111.831 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -145.57 154.39 42.11 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.063 0.545 . . . . 0.0 110.746 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -75.78 147.53 39.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.18 156.78 55.01 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.237 2.625 . . . . 0.0 109.83 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -77.25 -22.79 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 O-C-N 121.843 -0.536 . . . . 0.0 109.579 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.95 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.144 0.578 . . . . 0.0 109.545 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.881 0.372 . . . . 0.0 111.729 179.478 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.139 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -53.74 141.18 27.45 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.496 0.318 . . . . 0.0 111.276 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.66 -25.92 63.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -82.34 -5.06 58.35 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.923 0.329 . . . . 0.0 110.878 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.418 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -124.59 4.57 8.25 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 178.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.96 121.04 11.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -8.32 20.17 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.24 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -99.16 -29.3 12.93 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.345 1.073 . . . . 0.0 111.645 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.418 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.0 m-85 -104.52 127.74 52.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.38 139.21 25.46 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.6 154.42 38.56 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.074 0.549 . . . . 0.0 109.794 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.447 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.8 mt -131.51 173.17 11.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.248 1.019 . . . . 0.0 110.076 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.66 -179.03 52.77 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 121.212 0.34 . . . . 0.0 113.143 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.77 131.77 34.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.38 -38.7 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.447 0.699 . . . . 0.0 111.042 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.48 -5.49 59.18 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.66 0.384 . . . . 0.0 110.999 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -100.43 10.53 41.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.352 0.661 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 57.11 33.44 23.33 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.303 0.641 . . . . 0.0 112.473 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -78.55 128.31 33.36 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.587 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.466 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -112.81 15.1 19.94 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.152 0.581 . . . . 0.0 111.084 174.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.7 m -53.44 150.44 6.59 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.011 0.524 . . . . 0.0 111.063 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -135.82 150.52 49.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.382 -174.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.447 ' HB2' HD11 ' A' ' 83' ' ' LEU . 27.0 t -127.08 133.74 50.38 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.978 0.511 . . . . 0.0 109.763 172.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -103.64 137.99 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -126.99 146.38 50.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.079 0.552 . . . . 0.0 109.88 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 48.52 53.26 12.38 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 141.71 45.03 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -137.68 163.84 30.3 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.161 0.984 . . . . 0.0 109.567 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.2 -16.35 32.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -171.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.29 -7.08 59.62 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.224 0.466 . . . . 0.0 111.48 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -90.55 -18.74 24.72 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.97 134.76 49.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.936 0.494 . . . . 0.0 109.821 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.45 -147.51 17.49 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.1 t -127.51 152.48 47.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.983 0.513 . . . . 0.0 110.642 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -139.79 161.03 38.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.455 1.102 . . . . 0.0 111.479 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -144.1 155.64 44.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -102.87 160.61 14.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -140.78 150.41 43.31 Favored 'General case' 0 C--N 1.335 -0.053 0 O-C-N 121.952 -0.468 . . . . 0.0 110.512 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -124.01 134.84 53.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.438 1.095 . . . . 0.0 110.255 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -139.97 131.97 27.82 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -153.92 111.65 3.51 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.47 -124.43 35.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -82.56 -11.42 58.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.172 0.589 . . . . 0.0 111.88 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.9 tpp -65.64 137.01 57.05 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 121.809 -0.557 . . . . 0.0 111.519 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.12 124.75 11.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.612 1.165 . . . . 0.0 109.503 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.2 t-105 -160.98 127.62 4.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 118.276 0.489 . . . . 0.0 111.182 175.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 m -96.16 130.09 43.29 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 123.102 0.561 . . . . 0.0 109.54 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -82.17 77.46 8.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -146.42 162.68 37.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.4 p -77.88 156.61 30.25 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.404 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.6 mp0 -140.64 -164.21 1.69 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.247 1.419 . . . . 0.0 110.111 177.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.404 ' H ' ' HB3' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -43.6 -49.43 7.58 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 125.492 1.517 . . . . 0.0 113.007 -177.188 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -15.26 3.1 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -79.04 137.52 37.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -135.21 141.45 45.82 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 122.916 0.486 . . . . 0.0 110.413 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 t -153.2 162.04 41.75 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.6 155.63 33.39 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.554 0.742 . . . . 0.0 111.769 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -136.2 171.31 14.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 124.528 1.131 . . . . 0.0 110.938 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.61 123.25 49.49 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.753 0.821 . . . . 0.0 109.993 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 m -100.23 131.38 46.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 170.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.43 148.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.51 154.96 47.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.39 142.84 40.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 122.982 0.513 . . . . 0.0 110.446 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -142.67 145.29 33.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.267 0.627 . . . . 0.0 112.687 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.65 41.56 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.904 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.525 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.83 -19.28 65.83 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.127 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.33 1.1 t . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 117.108 2.262 . . . . 0.0 117.108 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.67 132.89 54.6 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.14 12.22 84.82 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.833 -0.426 . . . . 0.0 113.189 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -55.85 129.62 40.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.436 1.118 . . . . 0.0 112.573 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.07 -6.52 83.56 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.51 -0.605 . . . . 0.0 111.873 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -101.9 104.01 14.7 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.693 0.746 . . . . 0.0 110.388 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.01 162.58 35.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.152 0.501 . . . . 0.0 110.832 176.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -147.7 146.81 29.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.11 -174.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -129.66 131.02 46.28 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.14 0.576 . . . . 0.0 109.552 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -152.74 160.23 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 122.943 0.497 . . . . 0.0 110.642 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.51 128.53 32.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -76.58 -27.55 55.86 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.43 122.35 5.92 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.854 0.461 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.9 t -110.1 124.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -109.0 127.98 54.55 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 173.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.05 146.02 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.63 156.78 38.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.977 0.418 . . . . 0.0 110.843 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -73.32 128.16 34.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.821 -0.549 . . . . 0.0 109.903 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 1.75 59.91 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.618 -1.101 . . . . 0.0 114.56 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 179.6 5.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.448 1.624 . . . . 0.0 111.425 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.9 p -103.3 169.51 8.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -175.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -156.22 149.08 11.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.178 0.991 . . . . 0.0 110.64 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -101.72 144.22 30.68 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.712 0.805 . . . . 0.0 109.583 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.7 t -132.3 111.79 14.15 Favored Pre-proline 0 C--N 1.334 -0.069 0 C-N-CA 123.276 0.63 . . . . 0.0 110.897 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.57 136.21 18.99 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.905 2.403 . . . . 0.0 110.182 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.9 t -148.61 147.75 29.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.092 0.557 . . . . 0.0 110.329 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -148.02 155.53 41.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.313 0.645 . . . . 0.0 110.34 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -150.81 168.45 24.4 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 t -145.55 152.99 40.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.104 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -153.0 158.45 32.88 Favored Pre-proline 0 CA--C 1.529 0.152 0 C-N-CA 124.605 1.162 . . . . 0.0 112.856 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -62.82 153.32 73.51 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.773 2.315 . . . . 0.0 110.548 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.485 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -80.24 13.95 2.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -91.14 149.6 21.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.38 4.76 87.7 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.231 -0.76 . . . . 0.0 113.456 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.485 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -148.85 174.61 12.04 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.594 1.197 . . . . 0.0 111.22 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -144.8 162.35 36.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.89 -22.31 62.2 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.4 t -75.51 -19.23 59.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.134 -0.354 . . . . 0.0 111.523 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -94.39 121.81 62.64 Favored Pre-proline 0 N--CA 1.455 -0.188 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.99 153.77 37.42 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.935 2.423 . . . . 0.0 110.478 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.76 151.97 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -136.26 122.87 20.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.003 -0.435 . . . . 0.0 110.081 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.66 159.72 18.3 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.75 149.06 28.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -122.19 147.7 45.85 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -145.18 153.77 41.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.058 0.543 . . . . 0.0 110.964 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -75.67 146.99 39.79 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.341 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -71.08 158.86 54.0 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.23 2.62 . . . . 0.0 109.578 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -79.33 -21.88 12.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 O-C-N 121.894 -0.504 . . . . 0.0 109.715 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.06 146.72 14.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.946 0.498 . . . . 0.0 109.72 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.331 -0.198 0 O-C-N 123.19 0.306 . . . . 0.0 111.722 178.845 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 CA--C 1.527 0.064 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -55.09 140.9 36.57 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 111.39 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -24.85 63.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.673 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -82.67 -5.93 59.11 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.765 0.257 . . . . 0.0 111.033 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -125.25 5.83 7.78 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.95 119.87 9.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.06 -14.41 4.82 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 123.663 0.649 . . . . 0.0 113.526 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -89.58 -30.02 18.47 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.4 1.1 . . . . 0.0 111.273 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.7 m-85 -103.34 127.64 50.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -138.61 135.71 35.22 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 154.0 39.03 Favored 'General case' 0 C--N 1.335 -0.065 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -136.5 174.0 11.1 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.44 0.696 . . . . 0.0 110.337 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.04 -177.95 52.86 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 122.965 0.317 . . . . 0.0 112.411 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -87.01 130.96 34.23 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.33 -38.64 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.394 0.677 . . . . 0.0 110.776 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -83.51 -4.22 58.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.475 0.31 . . . . 0.0 111.004 -175.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -101.14 10.4 40.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 56.25 34.47 24.07 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.486 0.714 . . . . 0.0 112.312 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.67 127.85 32.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 174.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.1 p -113.03 15.07 19.7 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.019 0.528 . . . . 0.0 110.987 175.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -52.64 150.24 5.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.041 0.537 . . . . 0.0 111.354 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.2 tp -135.23 151.64 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.296 0.639 . . . . 0.0 110.342 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.456 ' HB2' HD13 ' A' ' 83' ' ' LEU . 11.9 t -126.83 138.88 53.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.459 0.704 . . . . 0.0 109.548 172.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -111.54 135.9 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -126.36 147.5 49.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.714 0.406 . . . . 0.0 110.02 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.8 t0 47.76 53.12 11.78 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.91 142.68 40.5 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -136.82 163.0 31.66 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.299 1.04 . . . . 0.0 109.294 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.39 -15.06 22.47 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.99 -6.08 59.35 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.239 0.472 . . . . 0.0 111.774 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -91.68 -17.71 25.06 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -70.21 135.31 48.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.777 0.431 . . . . 0.0 109.95 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.21 -148.18 19.13 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.7 t -126.09 152.84 45.33 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.875 0.47 . . . . 0.0 110.679 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -140.73 161.39 37.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.098 0.959 . . . . 0.0 111.135 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -144.26 155.31 43.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -101.76 159.17 15.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -142.32 152.25 42.76 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.119 0.418 . . . . 0.0 110.822 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -128.58 137.17 51.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.76 0.824 . . . . 0.0 111.27 -171.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -139.79 136.2 33.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.877 0.871 . . . . 0.0 109.122 168.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.36 110.38 3.0 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -123.71 34.17 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -82.46 -11.0 58.8 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.011 0.524 . . . . 0.0 112.074 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -65.67 136.52 56.4 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.26 0.482 . . . . 0.0 111.486 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.94 123.41 10.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.894 1.278 . . . . 0.0 109.117 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -159.88 132.2 6.44 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 118.319 0.509 . . . . 0.0 110.994 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.6 m -100.65 128.48 46.68 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -82.22 78.23 8.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -147.05 152.26 38.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.214 0.606 . . . . 0.0 110.139 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.8 p -71.19 151.59 44.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -144.71 -158.44 0.89 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.206 0.603 . . . . 0.0 109.651 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -50.54 16.46 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.192 0.997 . . . . 0.0 112.694 -174.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.26 -18.41 2.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -75.15 141.07 43.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -138.28 141.45 39.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.765 0.426 . . . . 0.0 110.043 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.5 t -155.1 162.78 40.92 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -76.29 157.49 32.47 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.476 0.71 . . . . 0.0 112.006 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -136.6 171.15 14.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.352 1.061 . . . . 0.0 111.14 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -113.83 124.53 52.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.75 0.82 . . . . 0.0 109.627 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.5 m -101.74 131.29 48.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.6 t -108.91 148.12 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.26 154.39 46.84 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.464 -1.309 . . . . 0.0 107.464 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -133.31 142.39 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 122.921 0.488 . . . . 0.0 110.297 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.92 146.46 35.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.87 150.54 39.16 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 111.233 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.54 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.22 65.75 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 171.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -57.84 134.13 56.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.68 8.52 86.27 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.905 -0.386 . . . . 0.0 113.091 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -57.82 132.48 53.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.325 1.062 . . . . 0.0 110.927 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.32 -9.42 77.53 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-O 119.511 -0.605 . . . . 0.0 112.06 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.11 105.54 16.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.692 0.746 . . . . 0.0 110.179 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.89 161.27 38.39 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.411 0.625 . . . . 0.0 110.552 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -146.12 147.03 31.12 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.368 0.667 . . . . 0.0 109.91 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.24 129.36 43.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.136 0.574 . . . . 0.0 109.747 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.75 160.04 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 122.991 0.517 . . . . 0.0 110.129 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -56.42 128.05 34.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -76.6 -26.0 54.53 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -153.96 122.99 6.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 109.937 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.0 t -112.53 127.76 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.74 128.98 56.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 169.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.4 p -133.85 146.93 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.428 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.04 155.76 39.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 110.372 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -73.12 127.28 32.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.62 1.51 57.64 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.647 -1.085 . . . . 0.0 114.903 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.43 179.55 6.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.418 1.609 . . . . 0.0 111.454 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -102.58 167.45 9.91 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.34 148.94 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 123.972 0.909 . . . . 0.0 110.664 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -101.85 142.9 32.45 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.612 0.765 . . . . 0.0 109.762 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.31 111.78 15.42 Favored Pre-proline 0 C--N 1.338 0.092 0 C-N-CA 122.945 0.498 . . . . 0.0 110.731 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.21 135.82 19.18 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.034 2.489 . . . . 0.0 109.961 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.468 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -148.39 147.26 29.01 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.973 0.509 . . . . 0.0 109.918 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.8 t -148.19 155.85 41.88 Favored 'General case' 0 N--CA 1.46 0.043 0 C-N-CA 123.683 0.793 . . . . 0.0 110.244 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -151.5 170.15 20.32 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 t -147.77 153.98 39.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.926 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -152.63 160.6 30.93 Favored Pre-proline 0 CA--C 1.53 0.182 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -174.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.61 151.77 52.66 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.409 2.74 . . . . 0.0 111.751 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.24 36.07 0.87 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.141 0.576 . . . . 0.0 112.448 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -130.75 157.04 43.9 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.82 4.51 82.32 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.119 0.39 . . . . 0.0 112.157 -177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.7 p-90 -152.82 175.06 13.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.729 0.764 . . . . 0.0 110.686 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -144.44 162.96 35.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.74 -23.08 64.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -76.54 -15.2 59.93 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 122.084 -0.385 . . . . 0.0 111.788 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -98.47 119.64 61.08 Favored Pre-proline 0 N--CA 1.454 -0.273 0 CA-C-O 119.286 -0.387 . . . . 0.0 111.701 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.39 152.92 44.66 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.958 2.439 . . . . 0.0 110.48 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.16 152.35 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -135.63 129.05 32.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 173.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.21 156.43 16.33 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.574 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -150.27 146.63 26.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.89 145.96 44.26 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 173.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -141.77 153.28 44.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -80.15 142.0 35.19 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.196 0 O-C-N 121.915 -0.49 . . . . 0.0 110.922 -177.827 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.69 158.24 57.73 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.477 2.785 . . . . 0.0 110.21 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.5 m -79.22 -20.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.36 145.38 13.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.862 0.465 . . . . 0.0 109.854 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.796 0.332 . . . . 0.0 111.869 177.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.234 0.248 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -56.33 142.28 38.53 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 122.787 0.435 . . . . 0.0 111.413 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.17 62.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.662 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.33 -8.46 59.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.909 0.322 . . . . 0.0 110.928 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.1 p -122.53 5.75 9.55 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.51 119.77 9.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -175.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.27 -14.1 5.4 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.877 0.751 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.4 mtm105 -90.05 -29.31 18.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 118.615 1.207 . . . . 0.0 111.367 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.52 127.79 53.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -147.1 142.41 27.36 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.96 154.06 39.49 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.578 0.751 . . . . 0.0 109.643 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -132.74 171.81 13.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.122 0.969 . . . . 0.0 110.445 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -178.33 53.75 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 121.37 0.428 . . . . 0.0 112.751 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -88.82 132.79 34.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.57 -39.32 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 110.993 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.97 -4.14 57.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.709 0.404 . . . . 0.0 110.87 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.0 t -102.17 10.8 39.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.305 0.642 . . . . 0.0 111.185 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 56.38 33.84 23.11 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.218 0.607 . . . . 0.0 112.431 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -78.74 128.92 34.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.709 175.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.468 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -113.9 14.84 18.61 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.17 0.588 . . . . 0.0 110.921 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -53.2 150.22 6.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.306 0.642 . . . . 0.0 111.027 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp -135.14 150.27 50.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 83' ' ' LEU . 17.0 t -125.62 134.49 51.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.949 0.5 . . . . 0.0 109.693 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.14 136.95 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 172.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -128.15 148.49 50.6 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.8 t0 48.55 53.31 12.33 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.82 143.71 36.03 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -138.94 162.78 34.01 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 124.311 1.044 . . . . 0.0 109.298 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.88 -15.71 33.66 Favored 'General case' 0 C--N 1.334 -0.079 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -173.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -83.39 -4.82 58.84 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.228 0.467 . . . . 0.0 111.911 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -91.83 -19.26 22.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.393 0.542 . . . . 0.0 109.585 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -67.36 137.03 55.68 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.27 -151.08 23.19 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -124.57 153.13 42.61 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.101 0.451 . . . . 0.0 110.955 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -140.51 161.03 38.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.253 1.021 . . . . 0.0 111.692 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -144.66 157.41 44.21 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -105.06 156.02 18.45 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -132.01 144.05 50.51 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 121.222 0.534 . . . . 0.0 111.223 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -119.06 130.11 55.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.779 1.232 . . . . 0.0 109.57 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -139.41 130.72 26.8 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 169.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.81 112.7 3.7 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.15 -124.77 36.9 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -173.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.5 m -83.98 -7.19 59.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.6 tpp -68.53 137.07 54.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.377 0.535 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -146.71 126.41 13.41 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 124.811 1.244 . . . . 0.0 109.828 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -161.62 155.2 21.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.8 p -138.46 132.87 31.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 123.29 0.636 . . . . 0.0 109.325 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -83.08 78.33 9.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -145.05 163.13 35.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p -75.3 157.69 33.98 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.36 -164.37 1.7 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.286 1.435 . . . . 0.0 109.684 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -48.58 8.73 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.685 1.194 . . . . 0.0 113.064 -176.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.93 -15.83 2.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -76.43 139.93 41.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -135.71 141.39 44.91 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.41 0.684 . . . . 0.0 110.439 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -155.43 163.86 39.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -80.22 155.85 27.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.859 0.864 . . . . 0.0 111.583 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -137.18 173.7 11.4 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.43 1.092 . . . . 0.0 111.333 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.15 124.63 51.97 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.009 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m -102.63 131.62 49.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.3 148.42 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.0 155.38 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -176.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.07 142.87 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.201 0.6 . . . . 0.0 110.281 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.5 t -141.18 146.9 37.54 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.322 0.649 . . . . 0.0 112.397 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.81 150.31 37.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 121.864 -0.523 . . . . 0.0 111.058 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.54 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.88 -23.6 67.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.71 0.404 . . . . 0.0 109.93 173.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 172.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.27 133.08 54.79 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.8 84.27 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.916 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.85 129.92 39.15 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.419 1.109 . . . . 0.0 112.723 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.78 -8.46 79.79 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.038 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -100.43 104.91 16.34 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 117.713 0.756 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.94 161.1 38.82 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.184 0.516 . . . . 0.0 110.574 176.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -146.9 147.12 30.46 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -130.79 130.09 43.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.407 0.683 . . . . 0.0 109.78 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -152.55 160.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.064 0.545 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.24 127.09 27.7 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.73 -27.2 60.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.81 123.02 6.51 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.098 0.475 . . . . 0.0 109.875 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -111.13 128.49 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.279 1.3 p -114.79 128.78 56.49 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 169.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -133.71 146.77 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 123.271 0.629 . . . . 0.0 110.175 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.58 155.77 40.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.707 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -72.85 128.25 34.95 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.712 -0.618 . . . . 0.0 109.991 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.93 1.92 59.66 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.49 -1.172 . . . . 0.0 114.607 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.7 178.23 7.01 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.687 1.743 . . . . 0.0 111.278 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -100.99 169.14 9.16 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -155.05 155.4 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.51 1.124 . . . . 0.0 110.768 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -108.92 143.01 38.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.811 0.844 . . . . 0.0 110.059 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.5 t -131.3 111.62 15.4 Favored Pre-proline 0 CA--C 1.527 0.084 0 C-N-CA 123.188 0.595 . . . . 0.0 110.97 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -74.82 135.72 19.81 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.709 2.273 . . . . 0.0 110.341 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.468 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.6 t -148.98 145.37 27.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.74 0.416 . . . . 0.0 110.413 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.8 m -145.26 153.47 41.34 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.157 0.983 . . . . 0.0 110.434 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -150.85 170.78 18.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.073 0.397 . . . . 0.0 111.934 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -148.7 154.86 40.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 111.151 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -152.82 160.94 30.39 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.904 0.882 . . . . 0.0 113.342 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.41 150.52 67.32 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.558 2.838 . . . . 0.0 112.034 176.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -87.99 36.12 0.76 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.612 . . . . 0.0 112.636 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.66 157.0 43.33 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.4 3.21 81.86 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.052 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.426 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.4 p-90 -150.25 175.75 11.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.954 0.877 . . . . 0.0 111.381 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.57 160.29 40.58 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -63.99 -19.86 65.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.337 0.655 . . . . 0.0 110.514 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.1 p -78.28 -16.13 58.08 Favored 'General case' 0 CA--C 1.528 0.101 0 O-C-N 122.314 -0.241 . . . . 0.0 111.488 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.33 120.54 60.78 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.338 0.655 . . . . 0.0 112.384 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.82 153.38 48.05 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.86 2.373 . . . . 0.0 110.527 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.0 152.69 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -136.42 131.22 33.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.494 172.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.0 156.98 15.59 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -150.23 147.81 28.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -118.06 147.26 43.42 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 122.902 0.481 . . . . 0.0 112.263 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -143.17 151.93 41.2 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 69.6 mtt-85 -79.42 141.46 36.81 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.24 0 O-C-N 122.229 -0.295 . . . . 0.0 110.947 -177.793 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -72.77 157.95 51.1 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.206 2.604 . . . . 0.0 109.44 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.79 -21.48 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 O-C-N 121.908 -0.495 . . . . 0.0 109.996 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.2 146.22 13.83 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.461 0.104 0 C-N-CA 122.603 0.361 . . . . 0.0 111.755 178.126 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.147 0.023 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -55.01 141.4 34.19 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.621 0.248 . . . . 0.0 111.496 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.45 62.57 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -85.46 -3.54 58.88 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.324 0.249 . . . . 0.0 111.235 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -127.75 6.18 6.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.3 120.08 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.27 -13.75 4.48 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.262 -0.743 . . . . 0.0 113.333 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -89.92 -29.42 18.54 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.52 1.16 . . . . 0.0 111.241 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -106.27 127.32 53.16 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.09 142.15 28.25 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.98 154.39 39.33 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.201 0.6 . . . . 0.0 109.534 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.7 mt -131.99 172.94 11.73 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.003 0.921 . . . . 0.0 110.459 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.63 -177.65 51.29 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 122.944 0.306 . . . . 0.0 112.608 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.16 142.28 28.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.66 -40.8 79.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 122.967 0.507 . . . . 0.0 111.049 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -81.91 -9.32 59.62 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.589 0.356 . . . . 0.0 110.925 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.3 t -95.69 8.29 43.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.234 0.614 . . . . 0.0 111.346 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 57.7 34.21 24.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.607 0.763 . . . . 0.0 112.671 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -79.68 127.72 32.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.533 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.468 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.2 p -112.82 14.65 19.9 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 122.982 0.513 . . . . 0.0 111.073 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -53.31 150.49 6.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.303 0.641 . . . . 0.0 111.054 -176.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.8 tp -135.3 150.95 50.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.278 0.631 . . . . 0.0 110.454 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.413 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.4 t -126.48 136.81 53.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.277 0.631 . . . . 0.0 109.933 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.31 138.13 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.34 147.47 50.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.919 0.488 . . . . 0.0 109.876 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.7 t0 48.33 52.18 13.9 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.74 142.68 39.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -136.95 162.36 33.5 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.418 1.087 . . . . 0.0 109.287 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.61 -14.44 20.34 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -85.89 -2.24 58.06 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.248 0.477 . . . . 0.0 111.401 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -95.85 -17.28 21.25 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.05 135.8 51.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.73 -148.94 20.54 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.72 151.97 45.93 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.039 0.535 . . . . 0.0 111.028 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 72.1 m-85 -139.7 161.22 38.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.101 0.96 . . . . 0.0 111.232 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -144.55 158.04 43.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -104.54 158.96 16.13 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.431 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.9 ttt85 -138.2 149.99 46.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 121.836 -0.54 . . . . 0.0 110.746 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tp -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.553 1.141 . . . . 0.0 110.401 -175.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -138.73 131.14 28.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 169.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -153.78 111.83 3.57 Favored 'General case' 0 C--O 1.228 -0.071 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.4 -123.53 32.94 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 108.757 -1.737 . . . . 0.0 108.757 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -85.29 -6.81 59.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.1 tpp -68.35 136.82 53.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.2 0.455 . . . . 0.0 111.413 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -147.13 124.77 11.78 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.549 1.14 . . . . 0.0 109.116 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -160.36 137.35 9.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.431 ' HB3' HH11 ' A' ' 109' ' ' ARG . 77.3 p -113.4 131.93 55.81 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -84.22 78.36 9.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -146.37 162.66 37.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.3 p -77.97 156.21 30.33 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.403 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.7 mp0 -140.13 -164.37 1.69 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.424 1.489 . . . . 0.0 110.135 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.89 -49.62 8.29 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.97 1.308 . . . . 0.0 112.982 -176.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.89 -15.3 3.03 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.41 138.05 38.3 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -135.5 141.43 45.29 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 122.839 0.456 . . . . 0.0 110.052 -175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 t -154.2 161.47 41.82 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.08 155.61 30.49 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.482 0.713 . . . . 0.0 111.913 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -136.19 171.17 14.87 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.277 1.031 . . . . 0.0 111.16 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.5 tp -112.47 126.11 54.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.811 0.844 . . . . 0.0 109.739 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.5 m -103.39 131.71 50.25 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -109.25 148.13 13.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.95 154.97 46.32 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.0 t -134.96 142.87 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.042 0.537 . . . . 0.0 110.414 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.94 146.0 35.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.217 0.607 . . . . 0.0 112.581 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.07 149.68 41.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.986 -0.446 . . . . 0.0 110.997 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.539 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.18 -23.52 67.12 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 117.84 2.533 . . . . 0.0 117.84 172.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.57 132.73 54.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 172.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.67 11.46 85.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.786 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.83 130.72 42.08 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.431 1.115 . . . . 0.0 112.764 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.42 -9.14 78.12 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-O 119.444 -0.642 . . . . 0.0 111.975 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.09 105.27 16.89 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.919 0.859 . . . . 0.0 110.109 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.55 161.58 37.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.162 0.505 . . . . 0.0 110.423 176.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -147.24 147.11 30.1 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.852 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -130.7 130.31 43.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.438 0.695 . . . . 0.0 109.809 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -152.75 160.39 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.832 0.453 . . . . 0.0 110.842 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.47 127.97 29.92 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.52 -26.47 55.26 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -155.45 123.82 5.91 Favored 'General case' 0 C--O 1.227 -0.079 0 C-N-CA 122.713 0.405 . . . . 0.0 109.917 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.8 t -112.65 123.24 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -107.59 127.35 53.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.22 145.57 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.791 0.436 . . . . 0.0 109.988 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -71.97 156.78 38.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.909 -0.494 . . . . 0.0 110.579 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -73.34 128.58 35.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.702 -0.624 . . . . 0.0 110.0 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.38 2.66 61.79 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.719 -1.045 . . . . 0.0 114.838 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.57 179.07 6.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.515 1.657 . . . . 0.0 111.674 175.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -102.08 168.13 9.58 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 p -154.04 153.91 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.361 1.064 . . . . 0.0 110.744 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -107.04 143.27 35.39 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.687 0.795 . . . . 0.0 109.64 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.1 t -131.52 111.26 15.05 Favored Pre-proline 0 C--O 1.231 0.123 0 C-N-CA 123.251 0.621 . . . . 0.0 110.937 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.07 135.73 19.34 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.794 2.329 . . . . 0.0 110.123 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.8 t -148.66 145.54 27.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.043 0.537 . . . . 0.0 110.393 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -146.06 152.9 40.07 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.079 0.951 . . . . 0.0 110.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -150.19 170.8 18.09 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 112.189 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -148.3 154.64 40.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.079 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -154.27 159.62 31.78 Favored Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.298 1.039 . . . . 0.0 113.061 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -59.51 154.21 49.52 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.435 2.757 . . . . 0.0 111.756 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.8 13.25 3.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -91.93 151.16 20.65 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.49 5.03 88.93 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.553 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.76 174.2 12.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.302 1.051 . . . . 0.0 111.361 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -143.89 162.46 36.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.43 -21.92 62.83 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -75.56 -23.36 56.55 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.09 -0.381 . . . . 0.0 111.642 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -87.96 122.22 70.21 Favored Pre-proline 0 C--O 1.232 0.134 0 C-N-CA 122.72 0.408 . . . . 0.0 111.244 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.26 151.72 34.28 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.86 2.373 . . . . 0.0 110.746 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.98 151.13 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -136.03 130.86 34.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.413 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.2 156.16 15.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -151.56 149.23 28.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -119.29 147.81 43.87 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.119 0.568 . . . . 0.0 112.13 174.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -141.7 153.45 44.67 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -77.71 137.48 38.52 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 O-C-N 122.035 -0.416 . . . . 0.0 110.85 -177.752 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.16 154.61 61.97 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.139 2.56 . . . . 0.0 110.321 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -76.99 -19.92 14.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.26 147.85 14.66 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.333 -0.129 0 C-N-CA 122.565 0.346 . . . . 0.0 110.548 177.905 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 111.39 0.145 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -55.51 143.76 28.37 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.818 0.447 . . . . 0.0 111.679 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.14 61.98 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -82.7 -5.63 58.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.826 0.284 . . . . 0.0 110.91 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.414 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.9 p -125.3 5.29 7.75 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.71 120.97 11.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -174.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 -13.76 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.774 0.702 . . . . 0.0 112.974 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -91.65 -29.68 16.75 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.48 1.14 . . . . 0.0 111.281 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.414 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.27 127.59 53.35 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -147.02 142.09 27.1 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.82 154.56 39.46 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.08 0.552 . . . . 0.0 109.799 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 94' ' ' SER . 13.2 mt -131.04 170.92 13.84 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.14 0.976 . . . . 0.0 110.364 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.21 -176.64 54.0 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-O 121.189 0.327 . . . . 0.0 112.721 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -89.07 142.9 27.24 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.3 mt -68.45 -43.33 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.037 0.535 . . . . 0.0 111.089 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -81.24 -4.49 55.67 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.817 0.447 . . . . 0.0 110.864 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.4 t -99.63 8.14 44.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.489 0.715 . . . . 0.0 111.362 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 56.79 33.59 23.28 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.16 128.81 33.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.47 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.11 14.5 18.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.907 0.483 . . . . 0.0 111.083 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -53.51 151.1 6.07 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.29 0.636 . . . . 0.0 111.093 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.57 150.86 48.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.338 -173.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.418 ' HB2' HD12 ' A' ' 83' ' ' LEU . 26.3 t -126.75 136.12 52.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.79 136.99 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -127.18 148.36 50.19 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.246 0.619 . . . . 0.0 109.888 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 45.6 t0 48.39 52.4 13.62 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.74 143.96 28.98 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -137.18 161.7 35.45 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.957 0.903 . . . . 0.0 109.394 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.71 -15.62 42.09 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -84.58 -4.67 59.1 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.369 0.531 . . . . 0.0 111.936 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -90.09 -19.77 23.95 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.77 134.89 50.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.973 0.509 . . . . 0.0 109.931 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.65 -148.44 19.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 t -126.45 153.34 45.18 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 122.899 0.48 . . . . 0.0 110.795 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.75 161.31 38.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.996 0.918 . . . . 0.0 111.442 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -143.01 155.99 44.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -102.04 158.81 15.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -138.77 148.69 44.16 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 118.288 0.495 . . . . 0.0 110.832 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.13 134.29 54.21 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.721 1.209 . . . . 0.0 110.133 -175.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.62 132.52 29.3 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -153.81 110.73 3.4 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.81 -124.23 35.98 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -172.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.7 t -82.38 -11.32 58.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.062 0.545 . . . . 0.0 111.694 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.1 tpp -66.25 136.68 56.2 Favored 'General case' 0 C--N 1.339 0.134 0 O-C-N 121.802 -0.561 . . . . 0.0 111.334 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -148.06 126.24 12.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.915 1.286 . . . . 0.0 109.29 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -161.69 127.73 3.7 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 111.121 175.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.0 m -96.75 130.41 44.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.179 0.591 . . . . 0.0 109.562 172.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.12 78.14 8.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -146.58 162.51 38.22 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.4 p -77.42 156.24 31.28 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.416 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.5 mp0 -140.88 -164.55 1.76 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.456 1.502 . . . . 0.0 110.091 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.416 ' H ' ' HB3' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -43.93 -48.84 8.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.128 1.371 . . . . 0.0 112.797 -176.54 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.98 -16.15 2.9 Favored 'General case' 0 C--N 1.34 0.156 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.94 138.64 38.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -137.13 141.47 42.26 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.941 0.496 . . . . 0.0 110.253 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -153.54 162.42 41.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.4 156.42 29.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.436 0.694 . . . . 0.0 111.75 -175.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -137.57 171.2 14.8 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.442 1.097 . . . . 0.0 110.869 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.4 tp -113.05 123.75 51.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.5 m -100.83 130.69 46.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 170.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.94 148.29 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.44 154.91 46.82 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.91 142.96 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.903 0.481 . . . . 0.0 110.405 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.08 146.17 35.13 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.106 0.562 . . . . 0.0 112.377 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.11 149.59 40.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 110.841 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.523 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.8 -18.8 65.55 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.422 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.331 1.1 t . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.24 130.93 48.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.405 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 77.92 14.35 82.43 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.868 -0.407 . . . . 0.0 113.004 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.17 129.87 41.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.405 1.103 . . . . 0.0 111.873 174.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.05 -7.9 81.08 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.428 -0.651 . . . . 0.0 112.108 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.89 105.04 15.33 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.693 0.747 . . . . 0.0 109.615 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.87 163.15 33.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.097 0.475 . . . . 0.0 110.74 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.12 145.1 28.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.883 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -124.32 127.26 47.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.872 0.469 . . . . 0.0 109.77 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.49 158.23 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.764 0.426 . . . . 0.0 111.757 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.71 133.21 46.96 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.845 0.858 . . . . 0.0 109.82 174.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -77.0 -31.07 56.2 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -154.17 127.48 8.49 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.981 0.513 . . . . 0.0 109.932 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.96 122.75 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -108.05 127.31 53.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 174.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.0 144.61 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.19 156.7 39.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.93 0.395 . . . . 0.0 110.563 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.11 129.87 39.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.507 -0.746 . . . . 0.0 110.326 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.72 1.74 63.49 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 118.686 -1.063 . . . . 0.0 114.824 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 178.73 6.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.491 1.646 . . . . 0.0 111.518 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -102.86 168.58 9.13 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -154.87 154.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 C-N-CA 124.274 1.029 . . . . 0.0 110.602 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -108.97 142.65 39.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.722 0.809 . . . . 0.0 109.819 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.3 t -131.26 111.88 15.5 Favored Pre-proline 0 CA--C 1.524 -0.048 0 C-N-CA 123.22 0.608 . . . . 0.0 110.578 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.28 135.48 18.63 Favored 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 122.895 2.397 . . . . 0.0 110.019 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.0 t -148.53 146.5 28.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.918 0.487 . . . . 0.0 109.815 178.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -147.17 155.85 42.48 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 123.278 0.631 . . . . 0.0 110.373 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -150.57 170.32 19.42 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t -147.9 153.74 39.48 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.35 159.39 31.99 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 124.062 0.945 . . . . 0.0 113.439 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.19 153.07 48.41 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.559 2.839 . . . . 0.0 111.797 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -86.01 18.64 2.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -101.55 156.39 17.51 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.05 3.99 88.71 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.516 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.9 p-90 -152.26 174.86 13.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.427 1.114 . . . . 0.0 111.306 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -144.7 163.25 34.55 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -60.85 -20.93 62.66 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.218 0.607 . . . . 0.0 112.432 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -75.0 -22.59 58.43 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.676 0.391 . . . . 0.0 111.429 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -92.11 122.61 64.66 Favored Pre-proline 0 N--CA 1.455 -0.2 0 C-N-CA 123.01 0.524 . . . . 0.0 112.3 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.28 152.4 39.44 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 123.091 2.527 . . . . 0.0 110.525 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.62 152.09 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -136.27 128.49 29.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.818 172.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.9 158.81 16.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -150.56 150.39 31.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -123.15 147.02 47.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.242 0.617 . . . . 0.0 112.089 174.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -146.82 156.1 42.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.494 0.718 . . . . 0.0 110.446 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.539 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 47.4 mtt180 -85.05 147.91 26.43 Favored 'General case' 0 CA--C 1.523 -0.092 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 O-C-N 122.043 -0.411 . . . . 0.0 111.077 -178.063 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.55 156.7 63.18 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.187 2.592 . . . . 0.0 110.111 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.33 -20.73 14.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.03 146.64 12.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.828 0.451 . . . . 0.0 110.167 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.462 0.164 0 C-N-CA 122.564 0.345 . . . . 0.0 111.157 178.771 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.233 0.19 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -56.26 139.54 47.72 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-O 120.688 0.28 . . . . 0.0 111.123 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.95 -19.78 63.36 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -92.68 -4.7 52.81 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 122.257 -0.277 . . . . 0.0 111.249 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.2 p -119.34 3.75 11.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.72 119.64 9.1 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.4 -16.89 3.52 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.604 0.621 . . . . 0.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -86.41 -31.26 21.54 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 118.097 0.948 . . . . 0.0 111.242 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -105.4 127.45 52.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.95 141.23 26.26 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.95 154.26 39.43 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.392 0.677 . . . . 0.0 109.307 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.0 171.97 12.94 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.811 0.845 . . . . 0.0 110.211 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.4 -178.05 52.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 122.791 0.234 . . . . 0.0 112.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -86.83 139.68 30.44 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.37 -37.38 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.355 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -86.07 15.26 5.23 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.283 0.633 . . . . 0.0 111.563 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -131.64 14.02 4.92 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.015 0.526 . . . . 0.0 110.885 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.4 34.8 24.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.967 0.907 . . . . 0.0 113.101 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.86 126.49 30.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.035 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.459 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -111.74 13.83 21.11 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.095 0.558 . . . . 0.0 110.998 175.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.7 m -53.54 150.0 7.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.382 0.673 . . . . 0.0 110.782 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.4 tp -136.29 149.83 48.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.466 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.0 t -125.89 135.64 52.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.064 0.546 . . . . 0.0 109.748 173.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.9 mp -107.74 137.05 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 171.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -127.64 148.1 50.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.909 0.483 . . . . 0.0 109.725 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.7 t0 47.54 53.43 11.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.65 141.88 46.85 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -138.51 163.34 32.23 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.362 1.065 . . . . 0.0 109.733 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.76 -16.03 24.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -81.71 -5.32 58.02 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.814 0.445 . . . . 0.0 111.485 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -94.22 -20.04 20.19 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.005 0.522 . . . . 0.0 109.973 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -68.33 134.28 50.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.785 0.434 . . . . 0.0 110.406 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.44 -149.39 20.9 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.6 t -124.04 152.94 42.05 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.784 0.433 . . . . 0.0 110.6 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.539 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 51.6 m-85 -137.69 155.86 48.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.594 1.158 . . . . 0.0 112.786 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -142.81 155.01 44.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.252 22.6 t80 -103.78 157.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -137.16 150.61 48.05 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.666 0.386 . . . . 0.0 110.518 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -127.76 132.52 49.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.411 1.084 . . . . 0.0 110.266 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -139.47 131.96 28.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 169.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -153.78 112.37 3.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.485 0.714 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.26 -125.26 38.53 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -172.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -83.45 -8.57 59.35 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.077 0.551 . . . . 0.0 112.454 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.7 tpp -69.07 137.09 53.25 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 118.395 0.543 . . . . 0.0 110.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -146.02 128.77 16.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.131 1.372 . . . . 0.0 108.58 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.405 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 58.4 t-105 -159.55 145.21 15.86 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.181 0.446 . . . . 0.0 110.386 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -122.29 130.87 53.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.302 0.641 . . . . 0.0 109.655 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -86.53 78.71 9.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -146.12 145.36 30.48 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.586 0.355 . . . . 0.0 111.016 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.3 t -67.16 142.01 57.18 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.612 0.765 . . . . 0.0 112.002 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -139.3 -163.69 1.53 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.429 1.091 . . . . 0.0 111.24 -176.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.83 -48.65 5.77 Favored 'General case' 0 C--O 1.23 0.047 0 C-N-CA 125.37 1.468 . . . . 0.0 113.239 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.94 -12.25 2.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 175.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -82.24 141.03 33.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -137.36 139.63 40.92 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 122.56 0.344 . . . . 0.0 110.755 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.14 163.73 39.26 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -73.72 154.71 39.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.129 0.972 . . . . 0.0 111.433 -174.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.65 167.46 21.36 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.379 1.072 . . . . 0.0 110.666 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.37 122.85 48.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.586 0.754 . . . . 0.0 109.767 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.2 m -99.21 130.42 45.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.91 148.0 13.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 172.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.85 154.95 46.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.24 142.91 40.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.806 0.442 . . . . 0.0 110.221 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.67 144.63 32.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.295 0.638 . . . . 0.0 112.324 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.67 151.45 42.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.11 -0.369 . . . . 0.0 110.771 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.512 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.15 -25.53 68.13 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.1 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 175.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.36 133.75 55.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 9.38 86.09 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.041 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.83 132.31 52.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.334 1.067 . . . . 0.0 110.752 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.37 -8.94 78.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.97 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.63 102.72 13.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.993 0.896 . . . . 0.0 110.273 175.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.45 160.21 40.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.188 0.518 . . . . 0.0 110.625 177.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.21 146.8 30.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.926 -174.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -127.22 124.52 39.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.501 0.72 . . . . 0.0 109.74 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.42 158.39 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 122.931 0.493 . . . . 0.0 111.393 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.97 129.29 39.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.581 0.753 . . . . 0.0 109.804 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.5 -27.31 58.72 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.05 124.66 7.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.3 t -114.61 126.79 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.288 1.2 p -112.22 127.07 55.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 170.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -131.86 147.19 32.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.223 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.6 156.25 39.61 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.026 0.441 . . . . 0.0 110.451 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -74.01 128.15 34.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.732 -0.605 . . . . 0.0 109.941 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.83 3.43 59.31 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.672 -1.071 . . . . 0.0 114.911 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.09 -178.58 5.03 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.346 1.573 . . . . 0.0 111.673 175.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -104.53 167.61 9.63 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.75 150.22 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.524 1.13 . . . . 0.0 110.642 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -102.88 142.79 33.39 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.025 0.93 . . . . 0.0 109.882 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.6 t -131.59 112.96 15.29 Favored Pre-proline 0 N--CA 1.458 -0.069 0 C-N-CA 122.903 0.481 . . . . 0.0 110.522 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.02 136.46 18.41 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.892 2.395 . . . . 0.0 110.07 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.0 t -149.84 142.44 24.49 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.973 0.509 . . . . 0.0 110.221 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -144.48 155.6 43.79 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 123.704 0.802 . . . . 0.0 109.978 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -150.73 173.23 14.42 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 121.025 0.441 . . . . 0.0 111.944 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -148.99 154.53 39.49 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.989 0.516 . . . . 0.0 111.046 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -153.72 160.63 30.71 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 124.227 1.011 . . . . 0.0 113.635 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.72 153.4 56.3 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.293 2.662 . . . . 0.0 111.613 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -82.51 13.07 3.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.09 151.25 20.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.78 4.61 88.72 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.532 -0.593 . . . . 0.0 113.646 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.471 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.53 175.11 11.43 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 118.463 1.131 . . . . 0.0 111.191 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -144.91 163.2 34.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -60.8 -22.6 64.29 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t -75.03 -20.23 59.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.665 0.386 . . . . 0.0 111.539 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -92.63 121.69 65.66 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 122.786 0.434 . . . . 0.0 112.03 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.43 153.15 39.59 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 122.83 2.353 . . . . 0.0 110.267 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.92 152.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -136.36 131.62 34.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.34 157.66 15.79 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.477 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -150.53 152.24 33.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.721 0.809 . . . . 0.0 109.994 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -131.86 146.49 52.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 122.974 0.51 . . . . 0.0 112.269 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -149.41 157.42 43.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.219 -1.401 . . . . 0.0 107.219 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.541 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 54.0 mtt85 -80.53 154.06 27.75 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.531 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.01 159.76 49.36 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.732 2.955 . . . . 0.0 110.334 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -77.98 -21.61 13.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 147.95 13.69 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.769 0.428 . . . . 0.0 110.432 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.456 -0.152 0 C-N-CA 122.385 0.274 . . . . 0.0 111.221 178.053 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 CA--C 1.527 0.077 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -55.96 141.24 40.32 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.074 0.464 . . . . 0.0 111.082 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.38 -20.59 62.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.597 0.359 . . . . 0.0 111.716 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -90.3 -5.26 56.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.708 0.403 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.9 p -122.73 5.57 9.45 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.16 119.17 8.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.1 -15.77 3.92 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.791 0.71 . . . . 0.0 112.862 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -87.02 -28.47 22.6 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 118.393 1.096 . . . . 0.0 111.171 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.92 127.49 55.49 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.81 142.6 27.88 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.96 154.19 39.45 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.553 0.741 . . . . 0.0 109.525 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.415 HD13 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.54 174.5 10.2 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.966 0.906 . . . . 0.0 110.042 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.45 -176.83 54.56 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 122.9 0.286 . . . . 0.0 112.871 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.22 132.57 36.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.86 -37.37 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.662 0.785 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -85.95 10.96 12.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.05 0.54 . . . . 0.0 111.494 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -125.79 15.82 8.06 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 110.824 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.01 34.23 23.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.663 0.785 . . . . 0.0 113.107 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.68 128.84 34.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.817 -0.552 . . . . 0.0 112.487 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.453 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.79 13.7 17.28 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.101 0.56 . . . . 0.0 111.27 175.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.49 149.9 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.401 0.68 . . . . 0.0 111.276 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 tp -135.33 149.72 49.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.221 -173.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB2' HD13 ' A' ' 83' ' ' LEU . 16.5 t -124.19 135.4 53.44 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 123.177 0.591 . . . . 0.0 109.423 173.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -109.37 135.79 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -128.87 152.96 47.94 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.748 0.819 . . . . 0.0 109.074 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.3 41.32 30.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.81 144.56 27.22 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.134 0.574 . . . . 0.0 112.372 -171.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -140.41 161.25 38.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 124.908 1.283 . . . . 0.0 109.38 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -59.86 -14.68 16.33 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -83.76 -3.59 57.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.901 0.48 . . . . 0.0 111.766 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -95.16 -19.52 20.01 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -66.5 134.23 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.06 -147.79 17.29 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 t -124.68 154.21 41.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.111 0.564 . . . . 0.0 111.046 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.541 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 39.7 m-85 -138.81 155.59 48.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.76 1.224 . . . . 0.0 112.831 -175.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -141.14 152.87 45.05 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -100.92 160.99 13.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -139.1 145.89 40.03 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.067 0.46 . . . . 0.0 111.34 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.6 tp -118.15 134.18 55.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.971 1.308 . . . . 0.0 109.879 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -140.11 131.12 26.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.96 110.76 3.37 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.23 -123.24 32.47 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -173.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.0 t -83.3 -8.94 59.36 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.011 0.524 . . . . 0.0 111.792 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.7 tpp -68.74 136.59 53.07 Favored 'General case' 0 C--N 1.339 0.109 0 O-C-N 121.682 -0.636 . . . . 0.0 111.198 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -147.91 127.27 13.09 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.966 1.306 . . . . 0.0 109.357 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -161.81 133.78 5.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 118.499 0.591 . . . . 0.0 111.26 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.44 ' HB2' ' HE2' ' A' ' 120' ' ' LYS . 28.9 m -101.34 131.6 47.32 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.306 0.642 . . . . 0.0 109.533 170.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -83.09 78.14 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.44 ' HE2' ' HB2' ' A' ' 118' ' ' SER . 58.6 pttt -145.95 146.18 30.94 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.73 0.812 . . . . 0.0 110.113 -176.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -70.24 152.73 43.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.994 0.518 . . . . 0.0 111.365 -176.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -142.4 -156.37 0.68 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.006 0.922 . . . . 0.0 110.568 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.61 -47.48 14.7 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.614 1.566 . . . . 0.0 112.519 -176.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.17 -14.67 1.76 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -77.73 143.3 38.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -138.92 140.99 38.49 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 123.258 0.623 . . . . 0.0 110.666 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.7 t -156.89 165.03 37.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.499 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -72.73 154.93 40.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.405 1.082 . . . . 0.0 111.458 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.27 168.33 19.96 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.259 1.024 . . . . 0.0 110.401 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.7 tp -115.87 122.35 45.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.347 0.659 . . . . 0.0 110.038 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.3 m -97.59 130.39 44.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -107.0 148.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.067 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.44 155.22 45.07 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -175.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.9 t -135.66 142.95 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.896 0.478 . . . . 0.0 109.743 -176.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.93 145.89 35.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.038 0.535 . . . . 0.0 112.319 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.07 150.85 38.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.097 0.475 . . . . 0.0 110.732 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.2 -24.31 67.63 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.074 174.078 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 172.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.13 134.0 55.5 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 172.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 11.64 85.16 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.902 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -55.35 131.15 45.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.674 1.237 . . . . 0.0 112.904 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.92 -9.31 77.13 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-O 119.407 -0.663 . . . . 0.0 111.799 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.44 105.1 16.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.943 0.871 . . . . 0.0 110.208 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.7 162.13 36.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.225 0.536 . . . . 0.0 110.868 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -147.81 147.15 29.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.058 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.92 129.89 42.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.46 0.704 . . . . 0.0 109.625 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 p -152.79 160.23 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.124 0.57 . . . . 0.0 110.66 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.55 127.73 29.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.86 -27.25 60.18 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -154.94 123.82 6.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.56 129.27 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.283 1.3 p -115.13 128.57 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 169.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.47 146.89 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.027 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.301 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.86 155.81 39.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.953 -0.467 . . . . 0.0 110.708 176.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -74.05 127.44 32.9 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.681 -0.637 . . . . 0.0 109.693 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.3 1.62 55.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.025 -0.875 . . . . 0.0 114.71 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.04 179.37 6.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 119.193 1.496 . . . . 0.0 111.514 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -102.87 169.61 8.49 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -155.32 153.27 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 124.373 1.069 . . . . 0.0 110.78 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -106.15 143.4 34.33 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.85 0.86 . . . . 0.0 109.693 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.0 t -132.21 112.33 14.38 Favored Pre-proline 0 CA--C 1.529 0.159 0 C-N-CA 123.102 0.561 . . . . 0.0 110.926 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.16 136.26 19.85 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.834 2.356 . . . . 0.0 110.189 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.5 t -149.18 145.26 27.07 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.691 0.396 . . . . 0.0 110.236 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.2 m -145.54 152.98 40.59 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.87 0.868 . . . . 0.0 110.326 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -150.13 171.77 16.36 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.82 -0.55 . . . . 0.0 112.055 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.26 153.98 39.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.074 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -153.75 159.64 31.84 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.886 0.874 . . . . 0.0 113.238 -174.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.57 151.48 62.13 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.14 2.56 . . . . 0.0 111.286 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.472 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -81.64 13.77 2.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -92.52 149.86 21.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.28 5.15 87.53 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.666 -0.519 . . . . 0.0 113.364 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.56 173.55 13.04 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.468 1.134 . . . . 0.0 111.423 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.9 163.01 34.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -60.26 -21.41 61.84 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.2 t -76.19 -17.91 59.31 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.888 -0.507 . . . . 0.0 111.561 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -96.49 119.14 64.6 Favored Pre-proline 0 C--O 1.233 0.205 0 C-N-CA 122.892 0.477 . . . . 0.0 111.938 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.4 154.08 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.756 2.304 . . . . 0.0 110.485 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.57 152.96 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -136.26 127.15 27.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.449 171.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.72 158.9 15.56 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -151.67 147.85 27.23 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -118.02 148.05 42.62 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 122.906 0.482 . . . . 0.0 112.174 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -143.05 151.82 41.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -79.51 141.5 36.64 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.26 0 O-C-N 121.991 -0.443 . . . . 0.0 110.829 -178.821 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.62 155.87 58.44 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.448 2.765 . . . . 0.0 109.816 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -79.15 -20.62 12.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 O-C-N 121.949 -0.47 . . . . 0.0 110.14 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.11 146.57 14.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.741 0.416 . . . . 0.0 109.992 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.46 0.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.74 178.761 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 111.135 0.05 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -53.88 141.79 26.33 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.838 0.351 . . . . 0.0 111.596 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.42 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -81.75 -10.33 59.39 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.022 0.374 . . . . 0.0 110.66 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.401 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -119.39 4.98 11.17 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.34 119.99 9.56 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -13.15 5.43 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.75 0.691 . . . . 0.0 113.368 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -91.97 -28.31 17.31 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 118.488 1.144 . . . . 0.0 111.46 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.401 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -107.3 127.58 53.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 176.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.67 141.61 27.02 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.8 154.57 39.47 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.351 0.66 . . . . 0.0 109.434 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -132.79 173.16 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.156 0.983 . . . . 0.0 110.361 -178.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -178.32 52.91 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 121.413 0.452 . . . . 0.0 113.206 175.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.27 131.85 34.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.59 -38.61 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.607 0.763 . . . . 0.0 110.951 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -83.04 -7.4 59.66 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.252 0.221 . . . . 0.0 111.008 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -98.15 10.4 40.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.297 0.639 . . . . 0.0 111.354 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 56.51 34.72 24.82 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.345 0.658 . . . . 0.0 112.248 -176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -79.23 126.8 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.157 -0.339 . . . . 0.0 111.484 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.461 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 p -112.26 14.45 20.51 Favored 'General case' 0 N--CA 1.46 0.053 0 C-N-CA 123.313 0.645 . . . . 0.0 110.578 175.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -53.41 150.37 6.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.377 0.671 . . . . 0.0 110.822 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.6 tp -135.57 150.91 49.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.225 0.61 . . . . 0.0 110.544 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.416 ' HB2' HD13 ' A' ' 83' ' ' LEU . 22.2 t -126.49 134.84 50.82 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.296 0.638 . . . . 0.0 109.594 172.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.83 136.9 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -126.34 148.17 49.61 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 48.43 49.76 17.67 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 140.0 44.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.459 0.304 . . . . 0.0 111.784 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -137.5 166.26 24.3 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.465 0.706 . . . . 0.0 110.252 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.58 -16.47 25.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -171.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -82.09 -6.31 59.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.3 0.5 . . . . 0.0 111.531 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -92.88 -17.05 24.52 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 118.336 0.516 . . . . 0.0 110.282 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.11 137.14 53.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.63 -149.72 21.62 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -124.93 152.45 44.09 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.654 0.382 . . . . 0.0 110.433 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.08 160.92 38.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.313 1.045 . . . . 0.0 111.642 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -143.64 156.86 44.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -101.65 158.52 16.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -141.04 152.08 44.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.819 -0.551 . . . . 0.0 110.615 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -130.07 135.36 48.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.849 0.859 . . . . 0.0 111.658 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -140.41 133.9 30.03 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.543 0.737 . . . . 0.0 109.274 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.69 111.26 3.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.15 41.29 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.6 m -82.55 -6.98 59.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.159 0.584 . . . . 0.0 112.493 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 40.0 tpp -68.28 135.9 52.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.5 0.591 . . . . 0.0 111.48 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -145.81 123.22 11.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.454 1.102 . . . . 0.0 109.606 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -159.86 142.32 13.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 117.997 0.362 . . . . 0.0 110.416 173.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.3 t -119.62 130.31 55.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.778 0.831 . . . . 0.0 109.765 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -83.85 78.41 9.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -148.22 157.69 43.64 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.9 p -74.75 160.79 30.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -146.07 -161.99 1.43 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.931 1.293 . . . . 0.0 110.201 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.66 -49.97 7.6 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 125.515 1.526 . . . . 0.0 112.843 -176.451 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.76 -14.61 3.16 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -79.89 139.23 37.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.4 141.25 41.69 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 122.626 0.371 . . . . 0.0 110.398 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -154.54 161.35 41.68 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.2 156.58 31.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.502 0.721 . . . . 0.0 111.844 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -136.9 172.02 13.64 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.536 1.135 . . . . 0.0 111.162 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.0 tp -114.84 122.57 46.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.853 0.861 . . . . 0.0 110.073 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.0 m -98.57 131.39 44.82 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.4 147.95 13.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 122.651 0.38 . . . . 0.0 109.994 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.22 155.11 46.08 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -134.28 143.23 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 123.006 0.522 . . . . 0.0 110.047 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.55 145.81 35.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.058 0.543 . . . . 0.0 112.426 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.72 149.89 39.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.016 -0.427 . . . . 0.0 111.045 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.53 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.31 -20.44 66.09 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 173.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.37 133.38 55.67 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 12.03 84.96 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.836 -0.424 . . . . 0.0 113.008 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.8 129.2 38.47 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.288 1.044 . . . . 0.0 112.457 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.7 80.53 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.132 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -101.63 104.13 14.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 117.776 0.788 . . . . 0.0 110.188 175.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.25 162.08 36.34 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.515 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -147.27 146.76 29.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.386 0.675 . . . . 0.0 109.954 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.15 131.7 45.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.94 0.496 . . . . 0.0 109.734 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.77 160.2 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.936 0.494 . . . . 0.0 110.572 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -54.87 127.56 29.16 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.65 -28.0 60.67 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -173.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.4 123.69 7.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.0 t -111.89 128.99 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.298 1.1 p -115.35 129.27 56.55 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.83 147.6 30.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.507 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.29 154.91 40.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.002 0.43 . . . . 0.0 110.549 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -72.03 127.41 32.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.707 -0.621 . . . . 0.0 110.196 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.81 1.71 58.61 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.799 -1.0 . . . . 0.0 115.082 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.69 179.09 6.37 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.424 1.612 . . . . 0.0 111.777 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.1 p -101.22 168.64 9.43 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.93 155.34 5.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 124.56 1.144 . . . . 0.0 110.565 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -108.59 142.89 38.38 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.994 0.918 . . . . 0.0 109.703 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.3 t -131.7 112.17 14.99 Favored Pre-proline 0 C--O 1.231 0.124 0 C-N-CA 122.994 0.518 . . . . 0.0 111.04 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.37 136.42 19.65 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.59 2.193 . . . . 0.0 110.256 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -149.05 148.03 29.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.158 0.583 . . . . 0.0 110.184 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -148.11 155.53 41.55 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 123.595 0.758 . . . . 0.0 110.415 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -151.81 169.14 22.97 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -146.64 153.06 39.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -153.86 160.11 31.3 Favored Pre-proline 0 C--O 1.233 0.214 0 C-N-CA 124.078 0.951 . . . . 0.0 113.477 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -58.72 152.43 56.6 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.294 2.663 . . . . 0.0 111.486 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.17 13.68 3.32 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -92.81 149.87 21.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.88 5.3 88.03 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.399 -0.667 . . . . 0.0 113.284 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.94 174.33 12.37 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 118.313 1.056 . . . . 0.0 110.651 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -146.03 164.48 31.98 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.4 -23.42 62.59 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -76.21 -14.93 60.13 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.13 119.23 62.44 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 122.985 0.514 . . . . 0.0 111.653 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.63 152.03 37.46 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 122.963 2.442 . . . . 0.0 110.476 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.11 152.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -136.27 128.22 29.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.053 -0.404 . . . . 0.0 110.578 172.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.3 158.34 16.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -150.72 147.64 27.58 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -118.51 148.38 42.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -143.57 152.91 42.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -79.35 141.56 36.83 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -177.71 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.73 154.71 59.13 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.314 2.676 . . . . 0.0 110.003 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.3 m -77.64 -20.87 13.93 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.067 0 O-C-N 122.14 -0.35 . . . . 0.0 110.132 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.34 147.22 14.17 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.784 0.326 . . . . 0.0 111.835 178.591 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.233 0.232 0 N-CA-C 110.771 -0.085 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.34 138.62 38.98 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.727 0.299 . . . . 0.0 111.296 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.83 -23.75 63.35 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.557 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -82.41 -7.31 59.64 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.507 -0.282 . . . . 0.0 111.095 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -124.32 5.98 8.41 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.73 122.25 14.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.2 -14.31 4.03 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.595 -0.559 . . . . 0.0 112.929 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -90.46 -31.48 16.78 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.445 1.122 . . . . 0.0 111.429 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -104.67 126.62 51.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.59 141.35 26.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.67 154.2 39.79 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.492 0.717 . . . . 0.0 109.584 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.9 mt -131.35 174.18 10.32 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.177 0.991 . . . . 0.0 110.131 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.33 -177.72 50.54 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-O 121.073 0.263 . . . . 0.0 112.8 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -87.19 141.1 28.9 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.26 -41.02 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.693 0.397 . . . . 0.0 110.83 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -81.2 -8.66 59.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.737 0.415 . . . . 0.0 110.843 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.5 t -94.72 7.3 46.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.308 0.643 . . . . 0.0 111.638 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 57.21 33.97 24.11 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.312 0.645 . . . . 0.0 112.452 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -79.35 126.64 31.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.182 -0.324 . . . . 0.0 111.097 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.459 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.32 14.33 22.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.834 0.454 . . . . 0.0 110.916 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.4 m -52.71 150.52 5.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.425 0.69 . . . . 0.0 111.295 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.14 151.3 49.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.532 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.425 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.0 t -127.33 135.0 49.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.165 0.586 . . . . 0.0 109.733 172.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.4 138.3 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.96 150.03 50.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.1 t0 47.59 53.21 11.47 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.14 143.77 37.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -138.26 161.47 36.8 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 124.202 1.001 . . . . 0.0 109.337 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -60.41 -14.34 18.46 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -174.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -85.42 -3.3 58.8 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.079 0.4 . . . . 0.0 111.542 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -93.85 -17.58 22.91 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -69.57 136.03 50.78 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.19 -146.99 16.43 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -129.56 153.02 48.45 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.546 0.338 . . . . 0.0 110.574 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.99 161.32 37.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.382 1.073 . . . . 0.0 111.287 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -144.17 158.52 43.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.253 25.4 t80 -105.42 158.94 16.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -138.42 151.1 47.15 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.032 0.533 . . . . 0.0 110.756 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -128.36 132.84 48.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.48 1.112 . . . . 0.0 110.526 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -139.69 132.39 28.98 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 169.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.87 112.6 3.66 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.18 -124.79 37.01 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.2 t -82.63 -12.84 57.37 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.905 0.482 . . . . 0.0 111.929 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.5 tpp -65.38 136.23 56.26 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -145.53 127.25 15.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.008 1.323 . . . . 0.0 108.888 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -159.41 150.16 19.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.84 0.291 . . . . 0.0 110.343 174.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 t -128.62 128.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.139 0.576 . . . . 0.0 109.615 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -84.94 78.53 9.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -173.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.22 149.24 33.55 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.799 0.44 . . . . 0.0 110.489 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -64.06 149.81 46.74 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 122.817 0.447 . . . . 0.0 111.412 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -144.55 -160.49 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.415 0.686 . . . . 0.0 109.694 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.05 -49.46 31.34 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.826 0.85 . . . . 0.0 112.593 -174.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.72 -18.18 2.78 Favored 'General case' 0 C--N 1.335 -0.054 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -75.25 143.16 43.19 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -138.83 140.98 38.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.412 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -155.75 161.99 40.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -77.44 156.6 31.0 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.756 0.822 . . . . 0.0 112.118 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -136.32 171.54 14.33 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.453 1.101 . . . . 0.0 111.065 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.2 tp -113.39 122.2 46.64 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.691 0.797 . . . . 0.0 110.006 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -99.04 130.73 45.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.45 148.38 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.529 0.331 . . . . 0.0 110.2 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.06 155.36 46.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.66 143.0 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.276 0.63 . . . . 0.0 110.091 -176.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.52 146.88 36.92 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.048 0.539 . . . . 0.0 112.452 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.76 150.87 37.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.621 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.533 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.25 -23.4 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 174.102 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.322 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 172.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -57.93 133.65 55.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 172.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.42 11.67 85.28 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 119.642 -0.532 . . . . 0.0 113.074 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.15 131.06 46.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.546 1.173 . . . . 0.0 112.29 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.66 -7.8 79.78 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.658 -0.523 . . . . 0.0 112.03 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.54 103.54 14.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.856 0.828 . . . . 0.0 110.156 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.0 160.08 40.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.082 0.468 . . . . 0.0 110.474 177.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.9 147.23 30.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.556 0.742 . . . . 0.0 109.948 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -127.84 125.72 40.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.329 0.652 . . . . 0.0 109.713 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -151.97 158.77 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 122.409 0.284 . . . . 0.0 111.519 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -53.72 132.26 40.75 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.191 0.996 . . . . 0.0 110.266 176.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -75.65 -29.95 59.28 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 tp -155.98 121.38 4.85 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.06 0.391 . . . . 0.0 110.271 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.57 123.44 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -107.48 127.78 53.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -135.1 144.95 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.44 156.25 39.68 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -72.83 130.55 40.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.684 -0.635 . . . . 0.0 110.002 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.98 1.75 65.03 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.694 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.75 178.82 6.36 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.369 1.584 . . . . 0.0 111.306 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -103.14 168.34 9.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -155.01 149.37 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.339 1.056 . . . . 0.0 110.796 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -104.4 141.64 35.99 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.848 0.859 . . . . 0.0 109.753 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.2 t -130.35 111.89 16.69 Favored Pre-proline 0 N--CA 1.456 -0.162 0 C-N-CA 123.125 0.57 . . . . 0.0 110.711 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.86 136.3 20.54 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.942 2.428 . . . . 0.0 110.082 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.467 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.4 t -149.47 143.49 25.7 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 122.727 0.411 . . . . 0.0 110.444 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -143.65 154.17 43.25 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.811 0.844 . . . . 0.0 110.404 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -151.24 171.45 17.4 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.978 -0.451 . . . . 0.0 112.164 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -148.0 154.53 40.42 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.539 0.336 . . . . 0.0 111.247 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -152.64 160.48 31.1 Favored Pre-proline 0 CA--C 1.532 0.256 0 C-N-CA 124.14 0.976 . . . . 0.0 113.37 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.25 151.1 62.16 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.517 2.811 . . . . 0.0 111.892 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.421 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -88.45 35.81 0.77 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.196 0.598 . . . . 0.0 112.562 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.82 157.16 42.98 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.17 3.44 84.94 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.8 p-90 -151.64 175.29 12.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.65 0.725 . . . . 0.0 110.989 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -145.12 164.07 32.38 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -61.41 -21.81 64.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -76.28 -16.06 59.87 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.689 0.396 . . . . 0.0 111.817 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -98.8 121.87 54.74 Favored Pre-proline 0 CA--C 1.528 0.099 0 C-N-CA 122.882 0.473 . . . . 0.0 111.645 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.95 152.19 40.73 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.05 2.5 . . . . 0.0 110.332 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.86 152.31 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -136.07 127.88 29.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.264 -0.272 . . . . 0.0 110.364 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.26 157.14 15.66 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -150.5 147.15 27.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -117.07 146.97 42.77 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -144.59 154.7 43.12 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.397 0.679 . . . . 0.0 112.097 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.523 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.6 mtm180 -87.13 144.93 26.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 177.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.227 0 O-C-N 122.162 -0.336 . . . . 0.0 111.034 -177.251 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.4 155.45 60.0 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.392 2.728 . . . . 0.0 109.786 176.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -78.08 -20.0 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.012 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 149.11 12.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.788 0.435 . . . . 0.0 110.092 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 CA--C 1.526 0.057 0 C-N-CA 122.761 0.424 . . . . 0.0 111.629 178.033 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -54.02 139.21 35.27 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.619 0.247 . . . . 0.0 111.034 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.08 63.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -90.27 -1.0 57.88 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.147 -0.346 . . . . 0.0 111.507 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.1 p -125.39 3.7 7.72 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.86 121.77 13.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.53 -11.47 9.63 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.147 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -94.54 -33.44 13.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.487 1.144 . . . . 0.0 111.197 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -103.95 125.27 50.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.22 142.78 28.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.88 154.45 39.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.238 0.615 . . . . 0.0 109.483 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 94' ' ' SER . 12.9 mt -131.84 173.14 11.48 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.876 0.87 . . . . 0.0 110.161 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.64 -177.85 53.59 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 121.329 0.405 . . . . 0.0 112.968 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.43 132.14 34.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -62.54 -38.8 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.419 0.688 . . . . 0.0 111.31 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -83.48 -5.7 59.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.604 0.361 . . . . 0.0 111.078 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.5 t -98.33 9.48 42.96 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.54 0.736 . . . . 0.0 111.167 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.49 34.68 24.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.278 0.631 . . . . 0.0 112.319 -175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -79.0 127.65 32.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.922 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.467 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.08 14.73 18.36 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 122.958 0.503 . . . . 0.0 110.975 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.2 m -52.98 150.66 5.32 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.25 0.62 . . . . 0.0 111.028 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.19 149.5 48.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.042 0.537 . . . . 0.0 110.741 -174.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.402 ' HB2' HD12 ' A' ' 83' ' ' LEU . 13.5 t -123.93 138.81 54.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.586 0.754 . . . . 0.0 109.578 174.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.5 136.61 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -129.69 148.93 51.63 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 122.749 0.42 . . . . 0.0 111.062 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.5 t0 46.89 55.53 7.78 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.57 143.87 28.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -172.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -129.09 157.49 41.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.14 1.376 . . . . 0.0 108.933 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -62.89 -13.5 34.96 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.17 -4.19 59.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 111.594 176.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -89.48 -19.48 25.03 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -69.2 135.61 50.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.96 0.504 . . . . 0.0 109.761 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.93 -151.08 23.04 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.8 t -122.01 153.29 38.76 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 122.809 0.444 . . . . 0.0 111.017 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.0 m-85 -137.63 156.32 48.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.565 1.146 . . . . 0.0 112.89 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -143.44 155.84 44.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -104.25 157.09 17.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -135.84 149.09 48.93 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.841 0.457 . . . . 0.0 111.027 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -126.29 132.7 51.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.603 1.161 . . . . 0.0 110.477 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -139.35 133.36 31.02 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -154.66 110.63 3.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.46 -122.65 30.62 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -172.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.9 t -85.88 -7.79 58.47 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.914 0.486 . . . . 0.0 111.595 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.2 tpp -67.38 135.75 53.69 Favored 'General case' 0 C--N 1.34 0.18 0 O-C-N 121.841 -0.537 . . . . 0.0 110.981 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -146.59 123.98 11.65 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.39 1.076 . . . . 0.0 109.144 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -159.18 149.01 18.91 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 117.725 0.238 . . . . 0.0 110.556 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -126.13 128.52 47.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.617 0.767 . . . . 0.0 109.418 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.68 78.37 9.87 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.48 152.64 39.34 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.984 0.514 . . . . 0.0 110.121 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.2 t -66.9 146.52 54.31 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.993 0.517 . . . . 0.0 111.099 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -141.71 -159.75 1.0 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.405 0.682 . . . . 0.0 109.976 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -49.94 23.92 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.925 0.89 . . . . 0.0 112.881 -174.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.99 -19.91 2.53 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -74.63 141.67 44.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -137.76 141.23 40.94 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 t -155.92 165.72 35.64 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.16 154.32 42.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -138.52 168.25 20.18 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.516 1.127 . . . . 0.0 110.54 177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.11 124.18 50.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.535 0.734 . . . . 0.0 109.72 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.2 m -100.03 132.33 45.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 170.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -110.63 148.3 14.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.46 154.24 46.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.62 142.24 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.258 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.68 145.24 34.67 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.056 0.543 . . . . 0.0 112.45 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.59 149.96 41.74 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.163 -0.335 . . . . 0.0 111.118 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.52 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.39 -22.22 66.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.708 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER . . . . . 0 C--O 1.233 0.215 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -58.61 133.03 55.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.32 8.68 87.04 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.768 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -57.89 131.73 51.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.712 1.256 . . . . 0.0 111.283 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 -8.04 80.73 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.024 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -101.65 105.01 15.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.886 0.843 . . . . 0.0 110.53 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.23 160.34 40.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.218 0.532 . . . . 0.0 110.697 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -147.69 144.63 28.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.532 -174.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -123.59 125.8 45.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.058 0.543 . . . . 0.0 109.602 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.68 158.77 3.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 122.915 0.486 . . . . 0.0 111.727 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -56.87 130.23 44.88 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.768 0.827 . . . . 0.0 109.613 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.65 -26.51 54.94 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.54 126.02 7.45 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 t -117.08 127.19 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -112.23 129.11 56.38 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 170.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -132.92 147.21 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.483 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.0 155.81 39.46 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.085 0.469 . . . . 0.0 110.152 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -72.59 127.07 31.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.912 -0.492 . . . . 0.0 109.964 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.82 3.12 59.43 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.6 -1.111 . . . . 0.0 115.128 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.59 -177.69 4.59 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.573 1.686 . . . . 0.0 111.525 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -105.89 167.96 9.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.1 p -153.9 156.38 5.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 124.76 1.224 . . . . 0.0 110.711 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -110.55 142.58 42.16 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.815 0.846 . . . . 0.0 109.644 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.2 t -132.24 113.17 14.52 Favored Pre-proline 0 CA--C 1.527 0.066 0 C-N-CA 123.104 0.562 . . . . 0.0 110.848 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.73 136.43 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.663 2.242 . . . . 0.0 110.22 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.1 t -149.18 146.91 27.88 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.596 0.358 . . . . 0.0 110.154 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -146.96 155.94 42.67 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 123.442 0.697 . . . . 0.0 110.317 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -151.63 170.39 19.8 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.34 154.74 40.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.877 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -151.83 161.47 29.43 Favored Pre-proline 0 N--CA 1.454 -0.24 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.23 151.81 64.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.38 2.72 . . . . 0.0 111.781 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.21 35.9 0.87 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.189 0.596 . . . . 0.0 112.276 -176.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.79 155.79 45.39 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.86 3.93 79.53 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.942 -0.365 . . . . 0.0 112.244 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.424 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.7 p-90 -152.06 175.52 12.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.626 0.713 . . . . 0.0 111.221 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -143.63 161.74 37.73 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.12 -21.89 64.15 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -75.18 -23.16 57.68 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.978 -0.451 . . . . 0.0 111.669 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.07 120.39 69.89 Favored Pre-proline 0 C--N 1.339 0.129 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.625 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.44 153.9 45.06 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.371 2.047 . . . . 0.0 110.285 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.94 153.1 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -136.09 132.91 36.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.161 -0.337 . . . . 0.0 110.402 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 156.46 15.58 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -151.39 149.21 29.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -118.74 148.12 43.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.007 0.523 . . . . 0.0 112.374 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -146.48 154.67 41.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.723 0.809 . . . . 0.0 112.153 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 46.6 mtt180 -85.39 146.09 27.16 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 O-C-N 122.053 -0.404 . . . . 0.0 111.081 -177.13 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.28 154.33 65.78 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 123.185 2.59 . . . . 0.0 109.603 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -76.69 -20.41 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.73 147.48 13.61 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.009 0.524 . . . . 0.0 110.166 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.234 0.248 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 178.831 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 119.945 -0.074 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -54.33 138.57 39.03 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.569 0.224 . . . . 0.0 110.715 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.4 -20.56 63.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -91.98 -5.79 52.4 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.038 -0.414 . . . . 0.0 111.402 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 p -117.43 3.52 12.5 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.037 0.935 . . . . 0.0 113.521 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.44 120.73 11.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -15.21 3.91 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.724 0.678 . . . . 0.0 112.993 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -88.48 -31.12 18.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.352 1.076 . . . . 0.0 111.214 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -107.25 126.86 52.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.66 140.7 26.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.78 154.59 39.49 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD12 ' HB2' ' A' ' 94' ' ' SER . 12.6 mt -131.36 170.9 14.01 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.017 0.927 . . . . 0.0 110.041 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.65 -177.66 53.72 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 123.018 0.342 . . . . 0.0 112.935 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.71 133.14 34.31 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.68 -40.85 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.631 0.772 . . . . 0.0 111.033 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.07 -5.99 58.81 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.556 0.342 . . . . 0.0 111.248 -175.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -99.59 9.66 42.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.34 0.656 . . . . 0.0 111.154 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 56.64 34.77 25.07 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 112.445 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -77.96 127.1 31.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 174.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.39 13.64 20.28 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.925 0.49 . . . . 0.0 111.093 175.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -52.88 150.0 5.84 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.001 0.521 . . . . 0.0 110.89 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.4 tp -135.71 149.38 49.21 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.435 -173.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.412 ' HB2' HD12 ' A' ' 83' ' ' LEU . 22.8 t -124.84 133.08 53.23 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.105 0.562 . . . . 0.0 109.845 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.09 137.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -130.29 153.34 48.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.25 41.69 30.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.54 143.3 30.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -171.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -139.41 162.83 34.08 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.447 1.099 . . . . 0.0 109.397 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.69 -16.3 25.81 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -82.51 -4.1 56.98 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.093 0.406 . . . . 0.0 111.887 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -92.21 -20.35 21.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -67.07 134.08 51.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.701 0.4 . . . . 0.0 110.119 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.69 -150.75 22.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 t -122.0 151.67 40.55 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 110.809 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.535 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.2 m-85 -138.39 157.43 46.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.514 1.126 . . . . 0.0 112.634 -175.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -143.58 154.55 43.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -100.51 158.1 16.17 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -137.24 150.27 47.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.921 0.391 . . . . 0.0 110.821 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.94 132.93 51.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.277 1.031 . . . . 0.0 110.08 -175.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.81 131.98 29.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 169.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -154.45 110.96 3.28 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -124.83 37.48 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 108.976 -1.649 . . . . 0.0 108.976 -172.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -83.3 -8.76 59.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.819 0.448 . . . . 0.0 112.113 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.8 tpp -66.43 136.86 56.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.304 0.502 . . . . 0.0 111.357 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -148.26 123.98 10.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.873 1.269 . . . . 0.0 109.364 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -161.45 131.73 4.99 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.393 0.542 . . . . 0.0 111.445 175.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.4 m -101.55 129.82 47.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 172.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -80.99 78.21 7.83 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -146.96 148.06 31.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.342 0.657 . . . . 0.0 110.333 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.3 p -69.49 152.98 44.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.273 0.629 . . . . 0.0 111.908 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -142.79 -154.7 0.54 Allowed 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.306 1.042 . . . . 0.0 110.195 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -51.65 17.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.723 1.609 . . . . 0.0 112.587 -176.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.94 -16.72 2.86 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.845 0.458 . . . . 0.0 112.155 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -77.11 141.03 40.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.322 1.231 . . . . 0.0 114.322 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.88 140.99 38.58 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 122.92 0.488 . . . . 0.0 110.118 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -156.51 165.16 37.1 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.469 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.6 tpmt? -72.11 154.32 41.16 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.262 1.025 . . . . 0.0 111.377 -175.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -138.62 169.42 17.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.39 1.076 . . . . 0.0 110.572 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.3 tp -117.08 121.79 42.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.528 0.731 . . . . 0.0 109.922 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -97.35 129.94 44.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.93 148.13 11.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 173.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.49 155.21 45.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -133.7 143.16 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 123.166 0.587 . . . . 0.0 110.041 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -142.2 146.32 35.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.57 150.43 38.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.016 -0.427 . . . . 0.0 110.749 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.526 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -63.83 -29.35 70.55 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.638 0.375 . . . . 0.0 110.206 175.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 0.8 OUTLIER . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 117.985 2.587 . . . . 0.0 117.985 174.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.89 133.92 55.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.44 11.02 85.73 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.898 -0.39 . . . . 0.0 113.059 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.1 130.51 42.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.491 1.145 . . . . 0.0 112.575 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.69 79.29 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.548 -0.585 . . . . 0.0 111.859 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -101.32 105.29 16.34 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.794 0.797 . . . . 0.0 110.074 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.44 160.99 38.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 110.545 176.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.28 147.19 31.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.519 0.728 . . . . 0.0 109.898 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -127.35 125.11 40.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.367 0.667 . . . . 0.0 109.563 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.34 158.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.356 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -55.2 129.17 37.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 109.94 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -74.89 -28.38 60.62 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.22 124.37 6.86 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.981 0.419 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.3 t -114.02 126.66 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.3 p -112.04 127.67 55.96 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 169.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -131.74 145.94 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.03 157.46 38.17 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.08 -0.388 . . . . 0.0 110.384 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -72.91 128.88 36.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.719 -0.613 . . . . 0.0 110.272 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.41 65.98 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.888 -0.951 . . . . 0.0 115.206 174.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.23 178.91 6.08 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.329 1.565 . . . . 0.0 111.049 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.4 p -101.79 168.72 9.26 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -154.85 154.59 6.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.503 1.121 . . . . 0.0 110.44 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -108.68 142.99 38.36 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.334 1.053 . . . . 0.0 109.952 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.19 112.55 13.23 Favored Pre-proline 0 N--CA 1.456 -0.138 0 C-N-CA 123.004 0.522 . . . . 0.0 110.687 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.4 137.71 21.19 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.706 2.27 . . . . 0.0 110.115 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -150.27 143.64 25.06 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.784 0.434 . . . . 0.0 110.265 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -146.62 156.44 43.21 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.859 0.863 . . . . 0.0 110.338 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -152.03 173.01 15.41 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 t -149.1 155.35 40.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -152.03 160.73 31.06 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.85 151.87 61.61 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.549 2.833 . . . . 0.0 111.929 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -88.6 36.0 0.79 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.63 157.19 41.98 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.89 2.6 86.25 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.852 -0.416 . . . . 0.0 112.317 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -151.91 175.97 11.94 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.891 0.846 . . . . 0.0 111.144 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -145.72 164.33 32.16 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.2 -22.39 65.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.916 0.486 . . . . 0.0 111.067 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -76.46 -15.49 59.89 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.863 -0.523 . . . . 0.0 111.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -98.49 122.27 54.06 Favored Pre-proline 0 N--CA 1.455 -0.19 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.96 151.72 40.05 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 123.08 2.52 . . . . 0.0 110.771 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.15 152.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -135.98 128.16 29.92 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 122.056 -0.402 . . . . 0.0 110.994 174.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.36 154.64 17.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.83 148.38 29.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.654 0.782 . . . . 0.0 110.527 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -124.19 144.37 49.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.331 0.653 . . . . 0.0 112.734 174.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.19 161.58 39.91 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 37.6 mtm180 -88.63 152.36 21.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.237 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.86 159.19 54.24 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.685 2.923 . . . . 0.0 109.973 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.39 -21.44 12.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.1 146.92 14.42 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.79 0.436 . . . . 0.0 110.579 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.53 0.177 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.31 177.542 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.233 0.186 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -55.21 140.18 39.7 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 122.758 0.423 . . . . 0.0 110.92 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.33 -20.61 63.87 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.407 0.283 . . . . 0.0 111.698 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -90.71 -1.29 57.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.816 0.446 . . . . 0.0 111.4 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -127.57 5.61 6.2 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 119.66 9.41 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 -17.1 2.82 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.648 0.642 . . . . 0.0 113.238 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -85.7 -30.47 23.12 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.377 1.089 . . . . 0.0 111.109 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -107.18 128.11 54.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.09 142.4 26.24 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.73 153.86 39.86 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 94' ' ' SER . 19.1 mt -129.49 -16.69 3.84 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 111.839 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.52 151.79 38.5 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -74.78 138.19 42.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.94 -39.84 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.082 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -90.36 16.83 8.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.618 0.367 . . . . 0.0 111.447 -175.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -131.02 12.7 5.19 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.858 0.463 . . . . 0.0 111.437 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 55.02 31.3 15.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -91.25 133.39 35.44 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.459 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 3.6 p -113.44 16.14 18.94 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.907 0.883 . . . . 0.0 111.989 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.7 m -52.3 147.09 8.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.092 0.557 . . . . 0.0 111.685 -175.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.8 tp -134.21 152.42 51.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.856 0.863 . . . . 0.0 110.474 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 83' ' ' LEU . 20.6 t -127.43 138.92 53.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.587 0.755 . . . . 0.0 109.788 172.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.2 137.37 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 171.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -128.78 148.64 50.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.15 53.5 11.62 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.42 142.71 42.96 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.44 162.33 33.96 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.945 0.898 . . . . 0.0 109.264 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.78 -15.95 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -84.45 -2.87 57.9 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.218 0.463 . . . . 0.0 111.407 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.09 -18.92 19.8 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -67.49 134.87 52.13 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.743 0.417 . . . . 0.0 109.985 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.0 -149.34 20.75 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.2 t -124.58 153.43 42.17 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.231 0.612 . . . . 0.0 110.827 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.469 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 52.9 m-85 -139.46 156.31 47.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.506 1.122 . . . . 0.0 113.273 -175.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -138.82 152.71 48.1 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.55 158.67 15.75 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -142.22 151.99 42.65 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.57 0.623 . . . . 0.0 110.986 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -125.17 138.1 54.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.341 1.056 . . . . 0.0 111.427 -171.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -141.04 134.54 29.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.757 0.823 . . . . 0.0 109.26 168.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -155.32 108.52 2.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.22 -123.35 33.17 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.2 m -83.66 -6.92 59.56 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.8 tpp -67.62 136.24 54.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.316 0.507 . . . . 0.0 111.175 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.27 121.26 8.8 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.818 1.247 . . . . 0.0 109.515 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -160.35 131.6 5.76 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 118.104 0.411 . . . . 0.0 110.881 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -103.22 134.06 47.25 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -85.18 78.15 9.89 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -147.95 159.93 43.36 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 124.454 1.101 . . . . 0.0 109.181 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.3 p -80.59 153.83 27.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -138.06 -163.37 1.44 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.35 1.46 . . . . 0.0 110.11 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -49.73 4.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.356 1.462 . . . . 0.0 112.894 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -14.93 3.15 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -77.66 140.26 39.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.83 141.17 42.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.31 0.644 . . . . 0.0 110.663 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.18 164.94 38.13 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.446 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.1 154.18 41.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 111.28 -176.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -139.77 167.66 21.59 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.626 1.17 . . . . 0.0 110.658 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.22 122.38 46.6 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.249 0.619 . . . . 0.0 110.315 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.3 m -99.08 128.88 45.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.24 148.01 10.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 172.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.34 155.3 45.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -176.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -133.76 142.98 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.123 0.569 . . . . 0.0 110.094 -176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.84 146.17 35.53 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.251 0.62 . . . . 0.0 112.224 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.51 150.66 38.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.55 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.92 -19.4 65.91 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.55 132.47 53.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.56 85.62 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 119.679 -0.512 . . . . 0.0 113.112 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.22 127.46 30.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.533 1.166 . . . . 0.0 111.914 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.64 -7.06 82.61 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.42 -0.656 . . . . 0.0 111.889 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -101.92 104.03 14.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 117.766 0.783 . . . . 0.0 110.25 175.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.47 160.56 39.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.742 177.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.35 147.04 30.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.724 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -127.42 125.62 40.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.076 0.55 . . . . 0.0 109.921 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 p -152.34 158.42 4.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 122.574 0.35 . . . . 0.0 111.19 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -53.48 131.22 37.88 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.988 0.915 . . . . 0.0 109.998 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.03 -29.9 60.93 Favored 'General case' 0 CA--C 1.523 -0.059 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -154.15 123.02 6.31 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.0 t -111.84 127.7 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.34 129.11 56.62 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 169.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -133.32 147.36 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.155 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.45 157.1 38.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.948 0.404 . . . . 0.0 110.396 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -73.92 129.43 37.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.619 -0.676 . . . . 0.0 110.089 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.44 1.02 60.8 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-O 118.755 -1.025 . . . . 0.0 114.837 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.36 179.29 6.12 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.406 1.603 . . . . 0.0 111.466 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -102.4 168.8 9.09 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.78 154.87 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.506 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -110.08 141.97 42.18 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.98 0.912 . . . . 0.0 109.873 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -131.48 112.87 15.41 Favored Pre-proline 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 110.78 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.18 135.92 19.37 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 122.98 2.453 . . . . 0.0 110.149 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.7 t -148.69 142.92 26.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.909 0.484 . . . . 0.0 110.252 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -143.53 153.4 42.55 Favored 'General case' 0 CA--C 1.524 -0.022 0 C-N-CA 123.858 0.863 . . . . 0.0 110.916 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -149.8 171.41 16.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 118.362 0.528 . . . . 0.0 112.379 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 t -148.39 153.52 38.67 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.747 0.419 . . . . 0.0 110.816 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -154.55 160.57 30.79 Favored Pre-proline 0 CA--C 1.529 0.156 0 C-N-CA 124.06 0.944 . . . . 0.0 113.302 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -59.25 153.19 54.78 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.098 2.532 . . . . 0.0 111.849 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.28 14.29 3.03 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -92.88 150.38 20.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.29 6.12 86.51 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.244 -0.753 . . . . 0.0 113.531 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.4 p-90 -148.34 175.26 11.25 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.536 1.168 . . . . 0.0 111.752 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.49 162.55 35.52 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.64 -21.43 60.46 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -75.29 -14.62 60.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.872 0.469 . . . . 0.0 111.851 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -96.59 125.55 46.66 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.81 151.87 36.44 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.293 2.662 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.46 99.18 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -84.09 123.28 29.88 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.557 -0.715 . . . . 0.0 110.786 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.17 157.23 18.49 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -151.7 149.93 29.65 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -118.68 147.43 43.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.884 0.474 . . . . 0.0 111.911 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.47 152.5 45.69 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -77.1 137.98 39.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 O-C-N 122.033 -0.417 . . . . 0.0 110.741 -177.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.368 0.128 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.48 157.56 44.85 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.301 2.667 . . . . 0.0 109.872 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.4 -20.52 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.095 0 O-C-N 121.649 -0.657 . . . . 0.0 109.872 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.18 147.51 16.28 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.387 178.375 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 110.829 -0.063 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -54.97 144.25 23.8 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.647 0.379 . . . . 0.0 111.752 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.54 62.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -83.0 -7.13 59.7 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.081 0.4 . . . . 0.0 111.135 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.0 p -121.15 3.85 10.38 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.07 123.23 18.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -175.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.83 2.8 65.87 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.048 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -115.91 -28.37 6.69 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.245 1.023 . . . . 0.0 112.052 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.15 127.42 53.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.853 1.056 . . . . 0.0 113.853 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -146.83 142.42 27.67 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.99 154.39 39.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.313 0.645 . . . . 0.0 109.755 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 94' ' ' SER . 12.3 mt -132.33 172.18 12.77 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.051 0.94 . . . . 0.0 110.109 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.55 -175.74 54.82 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 121.141 0.301 . . . . 0.0 113.198 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.5 133.5 35.87 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.59 -38.04 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.465 0.706 . . . . 0.0 110.834 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -88.5 16.94 5.8 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.805 0.442 . . . . 0.0 111.112 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -130.81 14.94 5.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.264 0.626 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 55.83 35.37 25.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.729 0.811 . . . . 0.0 113.047 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -78.55 128.48 33.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.633 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.465 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 6.0 p -114.78 14.56 17.45 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.27 0.628 . . . . 0.0 111.2 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.5 m -54.03 150.64 7.75 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.223 0.609 . . . . 0.0 110.898 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -136.01 149.8 48.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.389 0.676 . . . . 0.0 110.716 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.4 ' HB2' HD13 ' A' ' 83' ' ' LEU . 22.5 t -125.28 136.42 53.5 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.197 0.599 . . . . 0.0 109.659 173.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.3 137.55 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -128.81 148.36 50.87 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 122.866 0.466 . . . . 0.0 109.846 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.25 53.12 11.23 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.09 45.25 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -137.84 163.63 30.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.197 0.999 . . . . 0.0 109.662 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.63 -15.7 31.04 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -82.36 -6.99 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.248 0.477 . . . . 0.0 111.509 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -90.0 -19.4 24.49 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 122.663 0.385 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -69.44 133.58 47.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.155 0.582 . . . . 0.0 109.953 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -150.46 22.24 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.96 152.66 42.25 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.802 0.441 . . . . 0.0 111.079 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -141.09 162.29 35.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.274 1.03 . . . . 0.0 111.606 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -144.06 156.64 44.45 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -101.65 157.37 16.88 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -137.79 148.07 45.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 110.883 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp -121.86 134.73 54.88 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.607 1.163 . . . . 0.0 109.794 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -140.13 130.21 24.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -154.19 108.6 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.21 -123.45 33.04 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 -172.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.5 t -83.77 -11.16 57.47 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -66.15 139.85 58.16 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 122.02 -0.425 . . . . 0.0 111.33 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -151.89 128.34 10.67 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 124.343 1.057 . . . . 0.0 108.701 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -161.56 129.48 4.2 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.217 0.462 . . . . 0.0 110.873 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.6 m -99.43 126.65 45.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -79.6 78.1 6.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -144.02 152.05 40.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.761 0.824 . . . . 0.0 109.355 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.5 p -69.88 154.68 41.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -146.05 -159.36 1.0 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -49.34 16.15 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.123 0.969 . . . . 0.0 112.827 -174.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.31 -17.13 2.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.788 0.435 . . . . 0.0 112.166 176.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -76.01 143.81 41.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -138.09 141.3 40.24 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.409 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.72 166.72 32.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -72.86 154.71 40.48 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.649 1.18 . . . . 0.0 111.714 -175.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -140.15 167.67 21.6 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 124.394 1.077 . . . . 0.0 110.635 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.7 tp -113.76 124.98 53.58 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.355 0.662 . . . . 0.0 110.293 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 65.6 m -100.96 131.43 46.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 170.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.19 148.22 13.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.575 0.35 . . . . 0.0 110.278 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.2 45.95 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.06 143.08 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.091 0.556 . . . . 0.0 110.48 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.5 t -142.42 145.34 33.7 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.95 150.99 40.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.138 -0.351 . . . . 0.0 110.709 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.538 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.75 -22.48 66.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.646 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.327 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 172.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -58.04 133.99 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 11.77 85.18 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.808 -0.44 . . . . 0.0 112.906 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.33 131.91 46.77 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.513 1.157 . . . . 0.0 112.595 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 -8.18 77.37 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 119.613 -0.548 . . . . 0.0 112.239 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.13 102.44 13.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.835 0.818 . . . . 0.0 110.532 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.25 160.6 39.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.502 0.668 . . . . 0.0 110.654 177.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -147.57 145.55 29.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.363 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.95 127.08 46.49 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.23 157.53 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 122.63 0.372 . . . . 0.0 111.479 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -53.4 131.58 38.12 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.821 0.848 . . . . 0.0 110.135 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.65 -30.84 61.76 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -154.45 121.99 5.78 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.023 0.439 . . . . 0.0 109.86 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.84 127.09 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -113.0 128.85 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 169.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -132.95 147.43 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.65 40.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 110.638 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -72.89 127.38 32.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.707 -0.62 . . . . 0.0 109.944 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.32 1.65 59.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.683 -1.065 . . . . 0.0 115.107 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.92 178.51 6.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.403 1.601 . . . . 0.0 111.614 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.7 p -102.08 168.53 9.32 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -175.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -154.4 156.68 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 C-N-CA 124.434 1.094 . . . . 0.0 110.911 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -110.44 143.34 40.88 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.135 0.974 . . . . 0.0 109.804 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -132.31 112.46 14.28 Favored Pre-proline 0 N--CA 1.457 -0.123 0 C-N-CA 123.259 0.624 . . . . 0.0 110.701 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.3 135.05 18.04 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.825 2.35 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.468 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -147.98 147.59 29.81 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.889 0.475 . . . . 0.0 109.997 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 t -147.67 155.81 42.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.349 0.66 . . . . 0.0 110.654 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -151.58 169.76 21.31 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.6 t -146.93 154.2 40.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -152.66 161.02 30.33 Favored Pre-proline 0 N--CA 1.455 -0.178 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.26 151.15 61.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.571 2.848 . . . . 0.0 111.772 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.16 36.31 0.87 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -130.03 156.56 44.28 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.76 2.88 84.03 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.797 -0.446 . . . . 0.0 112.269 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.427 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -151.3 175.69 11.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 117.736 0.768 . . . . 0.0 110.734 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -145.58 163.52 34.52 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -61.5 -21.78 64.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.115 0.566 . . . . 0.0 112.089 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -76.57 -17.03 59.44 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -97.89 120.38 60.26 Favored Pre-proline 0 N--CA 1.457 -0.113 0 C-N-CA 122.529 0.332 . . . . 0.0 110.841 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.36 153.05 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.55 2.167 . . . . 0.0 110.535 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.5 152.43 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -136.21 130.53 33.27 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.697 0.284 . . . . 0.0 110.48 171.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 157.09 15.88 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -150.93 146.03 26.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -115.91 147.86 40.65 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.152 0.581 . . . . 0.0 111.919 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.1 150.71 43.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -76.65 137.67 39.58 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 O-C-N 122.034 -0.416 . . . . 0.0 110.294 -178.328 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.64 157.35 55.99 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.55 2.833 . . . . 0.0 109.824 175.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.48 -21.2 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 CA-C-N 118.075 0.398 . . . . 0.0 110.126 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.61 145.78 14.54 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.332 -0.155 0 C-N-CA 122.292 0.237 . . . . 0.0 111.002 178.175 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.231 0.117 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -54.13 140.92 30.65 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.662 0.385 . . . . 0.0 111.392 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.47 -24.35 62.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -83.01 -7.13 59.7 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 117.918 0.326 . . . . 0.0 110.762 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.6 p -123.3 4.47 9.13 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -62.56 121.49 13.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.84 -6.99 23.27 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.355 -0.692 . . . . 0.0 113.34 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.7 mtm105 -102.27 -28.02 12.51 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.556 1.178 . . . . 0.0 111.91 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.5 m-85 -105.59 127.87 53.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.25 139.33 25.72 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.69 154.39 39.68 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.598 0.759 . . . . 0.0 109.586 175.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.3 172.66 12.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.131 0.972 . . . . 0.0 110.2 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.87 52.44 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 121.09 0.272 . . . . 0.0 113.275 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.44 132.91 33.84 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.42 -40.07 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.56 0.744 . . . . 0.0 111.111 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -82.81 -4.36 57.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 122.441 0.297 . . . . 0.0 111.059 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -101.7 10.16 40.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.42 0.688 . . . . 0.0 111.308 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 56.72 33.87 23.63 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -79.0 127.64 32.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.13 -0.356 . . . . 0.0 111.447 175.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . 0.468 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.9 p -112.25 13.84 20.47 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 122.97 0.508 . . . . 0.0 111.013 175.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.9 m -53.2 150.64 5.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.252 0.621 . . . . 0.0 110.989 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.3 tp -136.59 150.52 48.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 -173.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 83' ' ' LEU . 22.6 t -126.93 135.23 50.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.071 0.548 . . . . 0.0 109.874 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.64 138.5 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -127.8 147.28 50.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 47.68 51.57 13.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.85 143.51 36.95 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.696 0.398 . . . . 0.0 112.064 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -137.51 161.15 37.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 124.725 1.21 . . . . 0.0 109.714 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.02 -14.68 17.48 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -85.63 -5.78 59.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.157 0.435 . . . . 0.0 111.74 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -90.68 -18.79 24.46 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -67.36 134.84 52.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.278 0.631 . . . . 0.0 109.922 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.08 -151.33 23.14 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.7 152.77 41.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 117.202 0.501 . . . . 0.0 111.146 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -141.28 160.29 40.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.3 1.04 . . . . 0.0 111.5 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -142.54 158.0 44.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -103.45 160.28 14.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -140.59 149.88 42.92 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.167 0.439 . . . . 0.0 110.856 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -124.99 133.62 52.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.538 1.135 . . . . 0.0 110.072 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -140.13 132.17 27.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -154.25 111.1 3.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.61 -124.01 34.64 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.8 t -83.18 -11.85 57.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.016 0.527 . . . . 0.0 111.784 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.2 tpp -64.51 136.95 57.57 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.504 -0.748 . . . . 0.0 111.428 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -147.34 125.0 11.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.909 1.284 . . . . 0.0 109.676 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -159.41 135.93 9.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.046 0.384 . . . . 0.0 110.966 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -108.12 127.69 54.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.0 0.92 . . . . 0.0 109.579 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -83.1 78.33 9.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -176.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -145.33 153.42 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 122.917 0.487 . . . . 0.0 109.982 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -69.15 153.08 44.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.701 0.286 . . . . 0.0 110.896 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -143.68 -160.57 1.13 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.399 0.68 . . . . 0.0 109.421 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -48.99 23.72 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.1 0.96 . . . . 0.0 113.076 -174.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.86 -16.75 2.88 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -76.01 141.8 42.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.49 141.39 39.41 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 122.922 0.489 . . . . 0.0 110.081 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.72 166.19 34.26 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -72.73 155.42 39.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.27 1.028 . . . . 0.0 111.81 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -139.38 166.72 23.82 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.367 1.067 . . . . 0.0 110.342 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -113.78 124.58 52.59 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.485 0.714 . . . . 0.0 110.346 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 64.8 m -101.18 130.75 47.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.71 148.34 11.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 122.71 0.404 . . . . 0.0 110.154 173.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.18 155.2 45.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 47.6 t -134.85 142.8 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.038 0.535 . . . . 0.0 110.394 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.52 146.79 36.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.95 151.2 38.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.03 -0.419 . . . . 0.0 110.7 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . 0.522 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.91 -21.75 66.87 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 173.469 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 172.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.472 0.658 0 CA-C-O 120.585 0.231 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -70.32 149.9 46.9 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.243 -0.286 . . . . 0.0 110.42 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.71 -0.15 72.03 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.658 -0.523 . . . . 0.0 112.852 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.46 156.65 34.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -155.3 172.61 17.91 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.097 0.559 . . . . 0.0 110.228 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -73.13 143.09 47.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.515 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.56 130.92 48.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.12 10.8 85.23 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.068 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.46 132.86 54.99 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.572 1.186 . . . . 0.0 110.419 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.63 -8.35 79.94 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.65 -0.528 . . . . 0.0 112.04 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -101.85 106.7 17.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 117.646 0.723 . . . . 0.0 109.833 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.28 161.36 38.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.107 0.479 . . . . 0.0 110.658 176.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -146.91 145.72 29.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.599 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -128.1 131.0 49.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.76 158.23 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.024 0.529 . . . . 0.0 110.373 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -54.7 127.18 27.02 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.72 -28.17 61.57 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 tp -153.24 122.37 6.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 120.953 0.406 . . . . 0.0 109.906 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.7 t -111.39 127.2 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.305 1.1 p -113.89 128.04 56.23 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 169.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.92 147.88 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.28 155.82 39.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.033 0.444 . . . . 0.0 110.628 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.18 128.81 36.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.442 -0.786 . . . . 0.0 109.992 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.13 59.21 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 118.62 -1.1 . . . . 0.0 114.675 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.92 179.7 5.92 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.618 1.709 . . . . 0.0 111.426 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.0 p -102.09 169.0 9.02 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.92 148.8 12.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 C-N-CA 124.305 1.042 . . . . 0.0 110.535 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -100.92 143.76 30.69 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.654 0.782 . . . . 0.0 109.565 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.6 t -132.21 112.17 14.35 Favored Pre-proline 0 N--CA 1.456 -0.173 0 C-N-CA 123.147 0.579 . . . . 0.0 110.534 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.39 136.3 19.45 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.75 2.3 . . . . 0.0 110.393 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -148.78 147.5 28.87 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.747 0.419 . . . . 0.0 110.164 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -147.73 155.72 42.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.487 0.715 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -150.88 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.036 0.446 . . . . 0.0 112.176 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 t -148.67 153.55 38.43 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 122.583 0.353 . . . . 0.0 111.192 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -153.19 158.48 32.8 Favored Pre-proline 0 CA--C 1.53 0.2 0 C-N-CA 124.536 1.134 . . . . 0.0 113.167 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -64.12 155.38 65.22 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.011 2.474 . . . . 0.0 110.69 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.3 pt20 -82.29 17.41 1.69 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -94.5 152.86 18.23 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.65 2.95 89.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.181 -0.789 . . . . 0.0 114.35 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.0 p-90 -150.3 176.1 11.19 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.596 1.198 . . . . 0.0 111.368 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -144.68 161.52 38.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -60.79 -22.46 64.13 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.1 t -74.73 -22.4 58.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.086 -0.384 . . . . 0.0 111.59 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -90.47 120.76 68.95 Favored Pre-proline 0 C--O 1.232 0.153 0 C-N-CA 122.896 0.479 . . . . 0.0 111.979 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.05 152.99 41.19 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 123.088 2.525 . . . . 0.0 110.372 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.55 152.94 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.436 ' CD2' HD21 ' A' ' 67' ' ' ASN . 27.4 m80 -136.27 131.93 35.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.63 0.253 . . . . 0.0 110.669 171.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 156.99 15.93 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -150.07 146.41 26.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.59 147.75 44.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.27 0.628 . . . . 0.0 111.861 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -144.61 153.57 41.92 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.056 0.542 . . . . 0.0 110.564 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -75.19 147.39 40.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.57 138.76 56.64 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.988 -0.445 . . . . 0.0 110.34 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.77 -7.27 81.71 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.972 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -68.84 159.88 31.66 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -111.77 97.81 38.89 Favored Pre-proline 0 N--CA 1.455 -0.19 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.88 -10.21 27.93 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.169 2.58 . . . . 0.0 111.96 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.48 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 7.7 m-85 -90.24 -6.75 54.86 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -136.6 8.45 3.08 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.777 0.717 . . . . 0.0 112.672 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -152.01 164.42 37.24 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.87 151.32 63.86 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 123.071 0.548 . . . . 0.0 111.39 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.9 160.35 46.19 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.652 2.902 . . . . 0.0 109.904 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -79.16 -20.6 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 O-C-N 122.083 -0.386 . . . . 0.0 110.056 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.12 145.91 13.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.841 0.456 . . . . 0.0 109.8 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -159.2 157.44 30.79 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.727 0.298 . . . . 0.0 111.637 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -88.77 -4.37 58.53 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.108 0.563 . . . . 0.0 111.886 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.436 HD21 ' CD2' ' A' ' 47' ' ' HIS . 1.5 m120 -63.41 138.37 97.34 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 118.006 0.366 . . . . 0.0 111.204 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.51 -21.92 9.75 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.307 2.671 . . . . 0.0 111.619 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -109.2 -26.04 10.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -72.91 136.68 45.27 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -81.69 173.51 12.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -134.6 162.6 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.047 0 C-N-CA 122.714 0.406 . . . . 0.0 111.79 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -55.19 140.34 39.01 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 122.791 0.437 . . . . 0.0 111.143 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -25.03 63.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.683 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -82.67 -5.72 59.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.003 0.365 . . . . 0.0 110.852 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.0 p -125.12 5.97 7.88 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.56 119.87 9.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.26 -13.38 4.72 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.49 -0.617 . . . . 0.0 113.366 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -90.67 -28.97 18.01 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.47 1.135 . . . . 0.0 111.349 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -106.88 127.42 53.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -146.46 142.3 27.98 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.76 154.41 39.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.474 0.709 . . . . 0.0 109.75 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 94' ' ' SER . 15.4 mt -132.54 172.98 11.81 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.967 0.907 . . . . 0.0 110.346 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.75 -176.79 52.45 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 116.564 -0.289 . . . . 0.0 112.583 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -88.5 141.26 28.68 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.52 -40.93 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.026 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -82.13 -6.96 59.58 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.74 0.416 . . . . 0.0 111.073 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.9 t -97.04 7.71 46.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.376 0.67 . . . . 0.0 111.462 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.91 33.27 22.94 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.242 0.617 . . . . 0.0 112.452 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.19 127.44 32.04 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.121 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.465 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -111.43 13.64 21.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.834 0.454 . . . . 0.0 111.03 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.68 149.6 5.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.31 0.644 . . . . 0.0 111.033 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.9 tp -134.75 151.1 50.72 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.568 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.426 ' HB2' HD11 ' A' ' 83' ' ' LEU . 16.5 t -125.99 136.53 53.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.406 0.682 . . . . 0.0 109.862 173.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.57 137.52 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -127.17 147.96 50.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.666 0.386 . . . . 0.0 110.156 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.78 52.49 12.69 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 142.31 42.21 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -174.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -137.88 161.71 35.91 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 124.399 1.08 . . . . 0.0 109.664 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.55 -15.21 16.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.09 -4.46 59.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.301 0.5 . . . . 0.0 111.663 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.28 -17.82 22.26 Favored 'General case' 0 N--CA 1.461 0.103 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -67.93 134.69 51.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.37 -148.94 20.3 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 t -125.47 153.49 43.45 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.778 0.431 . . . . 0.0 110.828 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -140.73 161.1 38.59 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.369 1.068 . . . . 0.0 111.56 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -144.44 156.24 44.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -104.9 160.35 15.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -140.61 150.9 44.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 118.263 0.483 . . . . 0.0 110.502 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.52 133.43 53.33 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.342 1.057 . . . . 0.0 110.321 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -139.03 131.22 28.18 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -153.62 110.99 3.48 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.82 -123.78 34.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -84.81 -7.68 59.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.717 0.407 . . . . 0.0 111.717 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.4 tpp -66.93 136.92 56.1 Favored 'General case' 0 N--CA 1.457 -0.103 0 O-C-N 121.724 -0.61 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -149.51 123.99 9.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.899 1.28 . . . . 0.0 109.372 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.438 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 64.5 t-105 -161.93 128.6 3.77 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.392 0.542 . . . . 0.0 111.433 174.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.1 m -95.44 129.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -82.06 78.11 8.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -148.4 166.01 29.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.3 p -76.85 158.19 30.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.436 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -142.16 -163.94 1.7 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.228 1.411 . . . . 0.0 109.707 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -49.48 10.56 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 124.939 1.296 . . . . 0.0 112.862 -176.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.68 -15.9 3.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.87 139.12 39.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -136.55 141.25 43.35 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.094 0.558 . . . . 0.0 110.266 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -153.24 163.56 39.68 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 128' ' ' LYS . 21.5 ttmm -75.97 157.76 32.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.579 0.752 . . . . 0.0 111.811 -175.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -138.2 169.98 16.83 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.473 1.109 . . . . 0.0 110.963 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.5 tp -114.37 124.54 52.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.042 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.2 m -102.81 129.59 49.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.14 148.24 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 122.6 0.36 . . . . 0.0 110.277 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.82 155.09 45.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -176.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -134.91 143.05 38.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 C-N-CA 123.021 0.529 . . . . 0.0 110.371 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.56 147.42 37.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.69 151.3 37.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.08 -0.387 . . . . 0.0 111.046 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.525 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.17 -20.41 66.43 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.164 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.325 1.2 t 54.32 11.87 0.44 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 117.4 2.37 . . . . 0.0 117.4 172.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.33 19.1 1.73 Allowed 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.729 -0.607 . . . . 0.0 111.787 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -179.84 -171.76 43.11 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 70.6 m -138.93 16.26 2.66 Favored 'General case' 0 N--CA 1.46 0.075 0 C-N-CA 122.941 0.497 . . . . 0.0 112.272 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 63.1 mt 59.59 13.83 3.6 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 57.7 t -69.43 139.57 89.46 Favored Pre-proline 0 CA--C 1.531 0.248 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.11 160.68 12.36 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.754 2.969 . . . . 0.0 112.733 177.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.385 -179.597 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.48 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.438 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.81 -8.07 56.63 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.018 0.527 . . . . 0.0 111.72 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.23 -169.96 52.62 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 60.54 169.51 0.09 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -154.6 169.81 22.98 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.415 0.686 . . . . 0.0 110.167 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.64 139.81 58.8 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.118 0.567 . . . . 0.0 109.919 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.01 133.27 54.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 172.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.08 12.07 84.98 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.007 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.93 130.7 42.39 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.548 1.174 . . . . 0.0 112.612 175.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.26 -8.29 80.07 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.636 -0.536 . . . . 0.0 112.289 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.34 107.29 18.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.558 0.679 . . . . 0.0 109.618 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.8 160.88 39.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.23 0.538 . . . . 0.0 110.557 175.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -146.49 147.18 30.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.224 0.609 . . . . 0.0 110.144 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -131.4 128.85 40.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.332 0.653 . . . . 0.0 109.247 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 159.59 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.128 0.571 . . . . 0.0 110.43 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -55.62 129.18 38.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -78.1 -25.68 47.67 Favored 'General case' 0 C--O 1.231 0.079 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -172.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -153.42 123.38 6.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.2 t -113.3 128.89 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -114.43 129.72 56.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 169.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.17 148.2 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.498 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.09 155.95 39.73 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.892 -0.505 . . . . 0.0 110.308 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.88 128.07 34.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.931 -0.481 . . . . 0.0 110.147 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.76 2.34 58.53 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.847 -0.974 . . . . 0.0 114.842 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.41 -179.4 5.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.43 1.615 . . . . 0.0 111.693 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.4 p -103.37 168.21 9.31 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -175.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.73 148.81 12.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 124.615 1.166 . . . . 0.0 110.643 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -101.56 142.95 32.15 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.607 0.763 . . . . 0.0 109.984 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.61 111.66 15.01 Favored Pre-proline 0 C--O 1.232 0.159 0 C-N-CA 123.013 0.525 . . . . 0.0 110.696 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.34 137.12 20.58 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.853 2.369 . . . . 0.0 110.061 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.476 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -149.39 144.07 26.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.187 0.595 . . . . 0.0 110.169 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.9 m -144.84 153.63 41.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.832 0.853 . . . . 0.0 110.346 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -151.39 171.77 16.98 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 121.881 -0.512 . . . . 0.0 111.61 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -148.13 155.03 40.96 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -152.23 161.48 29.25 Favored Pre-proline 0 N--CA 1.454 -0.256 0 C-N-CA 124.222 1.009 . . . . 0.0 113.7 -175.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.78 151.73 62.03 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.232 2.621 . . . . 0.0 111.972 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.432 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.26 35.99 0.87 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.533 0.733 . . . . 0.0 112.558 -176.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.43 156.83 44.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.61 4.06 83.3 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.934 -0.37 . . . . 0.0 112.373 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.432 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -152.12 175.74 12.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.689 0.745 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -144.89 164.02 32.35 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -63.28 -20.3 65.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.886 0.474 . . . . 0.0 110.705 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -77.55 -15.98 58.93 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.64 120.74 56.73 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.497 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.51 152.82 43.87 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.916 2.411 . . . . 0.0 110.448 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -75.38 153.04 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.421 ' CD2' HD21 ' A' ' 67' ' ' ASN . 27.0 m80 -136.18 130.18 32.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 122.081 -0.387 . . . . 0.0 110.486 172.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.45 157.09 15.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -149.95 151.5 33.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -127.19 148.29 50.19 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.459 0.703 . . . . 0.0 111.661 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -149.3 157.44 43.34 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 56.7 mtt-85 -74.88 152.11 38.91 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.68 138.09 57.21 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.119 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.79 -7.78 81.15 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.49 -0.617 . . . . 0.0 112.884 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -70.74 162.07 29.74 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 118.482 1.141 . . . . 0.0 114.059 176.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -114.87 97.68 48.09 Favored Pre-proline 0 CA--C 1.529 0.149 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.89 -8.14 22.67 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.696 2.931 . . . . 0.0 112.894 -172.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.51 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 8.2 m-85 -83.53 -6.05 59.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -176.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -153.39 -22.01 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -80.2 155.8 27.22 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.396 0.544 . . . . 0.0 110.915 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.0 142.13 59.54 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.94 156.76 55.97 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.808 2.339 . . . . 0.0 109.461 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -77.62 -21.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.733 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.82 145.04 13.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.929 0.491 . . . . 0.0 110.033 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t -159.43 156.46 28.41 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -90.05 -2.24 58.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.328 0.651 . . . . 0.0 111.811 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.421 HD21 ' CD2' ' A' ' 47' ' ' HIS . 1.4 m120 -64.52 140.33 97.97 Favored Pre-proline 0 CA--C 1.528 0.106 0 O-C-N 122.027 -0.421 . . . . 0.0 111.44 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.1 -22.45 9.91 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.263 2.642 . . . . 0.0 111.61 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -110.95 -25.56 9.75 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -73.73 136.0 43.65 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.7 pm0 -76.06 179.86 5.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.687 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.41 159.77 25.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 C-N-CA 123.565 0.746 . . . . 0.0 111.39 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.49 141.77 29.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.898 0.38 . . . . 0.0 111.418 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -24.12 62.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.373 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -84.17 -4.38 58.77 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.377 -0.202 . . . . 0.0 111.185 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.4 p -125.98 6.01 7.26 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 178.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.08 119.59 8.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.79 -14.2 4.7 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.134 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -89.39 -27.04 20.7 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.446 1.123 . . . . 0.0 111.616 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -110.3 128.34 55.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -147.29 142.85 27.61 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.96 154.4 39.35 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.763 0.825 . . . . 0.0 109.894 175.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -132.6 176.14 8.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.241 1.016 . . . . 0.0 110.536 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.19 -178.68 51.19 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 121.156 0.309 . . . . 0.0 112.876 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.08 132.09 34.43 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.86 -39.14 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.603 0.761 . . . . 0.0 111.165 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -84.15 -6.52 59.41 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.396 0.278 . . . . 0.0 110.855 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 t -97.57 10.65 39.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.62 34.35 24.32 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.138 0.575 . . . . 0.0 112.327 -175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -79.68 126.99 31.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.865 -0.522 . . . . 0.0 111.955 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.476 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.03 14.73 20.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.058 0.543 . . . . 0.0 110.819 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 m -53.96 151.09 7.06 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.188 0.595 . . . . 0.0 111.017 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.23 151.15 49.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.426 -174.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.412 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.9 t -126.07 134.01 51.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.275 0.63 . . . . 0.0 109.584 173.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.35 136.43 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -128.48 152.51 48.16 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 52.84 41.55 31.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 144.23 27.87 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -171.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.39 162.16 35.98 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 124.96 1.304 . . . . 0.0 109.295 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -59.8 -14.55 15.3 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -173.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -83.86 -2.35 56.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.861 0.464 . . . . 0.0 111.794 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -96.17 -18.08 20.36 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 118.374 0.533 . . . . 0.0 109.677 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.18 133.96 50.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -149.2 20.76 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.4 t -125.81 153.28 44.29 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 116.976 0.388 . . . . 0.0 110.846 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 63.2 m-85 -140.89 160.17 40.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.32 1.048 . . . . 0.0 111.489 -176.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -141.26 155.82 45.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -101.68 160.37 14.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -141.73 150.6 42.02 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 118.222 0.465 . . . . 0.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -123.55 132.31 53.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.284 1.033 . . . . 0.0 110.254 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -138.85 131.07 28.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -154.11 111.94 3.51 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.06 -123.81 34.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 72.1 m -85.17 -7.04 59.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.002 0.521 . . . . 0.0 112.323 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.84 136.2 52.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.209 0.459 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.52 122.84 10.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.666 1.186 . . . . 0.0 109.182 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.472 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.5 t-105 -160.16 135.09 7.81 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.02 0.373 . . . . 0.0 110.555 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -106.64 135.01 48.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.115 0.566 . . . . 0.0 109.481 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -86.52 78.45 9.2 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -149.02 161.88 41.04 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.223 1.009 . . . . 0.0 109.678 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -80.27 147.26 31.25 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -135.63 -164.6 1.57 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.567 1.547 . . . . 0.0 110.461 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -50.5 6.57 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.942 1.297 . . . . 0.0 113.005 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.52 -15.17 3.19 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -80.63 136.5 36.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -134.78 141.17 46.38 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.367 0.53 . . . . 0.0 110.004 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 t -153.85 162.13 41.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -76.64 155.98 33.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.821 0.848 . . . . 0.0 111.905 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -136.62 171.94 13.75 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.323 1.049 . . . . 0.0 111.225 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.6 tp -114.45 123.88 50.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.732 0.813 . . . . 0.0 109.764 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.8 m -101.36 129.9 47.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.7 t -107.02 148.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.25 155.1 46.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.95 142.59 39.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 123.217 0.607 . . . . 0.0 110.178 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.35 146.35 36.56 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.01 150.92 38.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.716 -0.615 . . . . 0.0 110.724 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.532 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.29 65.77 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.2 t 53.94 18.12 1.55 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 174.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -145.91 173.48 12.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.8 -0.563 . . . . 0.0 109.907 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 77.26 -171.88 55.15 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 98.6 p -155.68 169.18 24.93 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.191 0.596 . . . . 0.0 110.139 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 75.0 mt -74.97 -4.22 36.93 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.801 0.441 . . . . 0.0 111.896 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.27 137.41 89.06 Favored Pre-proline 0 N--CA 1.455 -0.218 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.25 152.45 81.05 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.203 2.602 . . . . 0.0 111.364 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.236 -177.009 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.51 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.472 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.451 0.167 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -68.23 148.87 50.22 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.617 0.367 . . . . 0.0 110.648 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -154.3 46.81 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -142.4 166.15 25.46 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -153.91 170.14 21.76 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.06 0.544 . . . . 0.0 110.199 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -65.04 139.39 58.74 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.153 0.581 . . . . 0.0 109.853 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -57.68 135.33 56.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.5 9.45 86.84 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-O 119.614 -0.548 . . . . 0.0 112.815 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -55.27 131.95 46.7 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.504 1.152 . . . . 0.0 112.506 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.63 79.4 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 119.46 -0.633 . . . . 0.0 111.854 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.55 106.93 18.49 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 117.668 0.734 . . . . 0.0 109.991 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.09 160.98 39.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.414 0.626 . . . . 0.0 110.64 175.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.88 147.23 30.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.576 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -129.58 130.78 46.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -152.65 159.89 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.919 0.488 . . . . 0.0 110.237 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.97 127.59 29.6 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.0 -27.04 59.98 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -154.24 123.35 6.41 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.4 t -111.98 128.08 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.297 1.1 p -114.19 127.69 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 169.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -133.53 146.67 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.0 0.52 . . . . 0.0 110.044 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.53 155.86 40.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.164 0.507 . . . . 0.0 110.686 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.36 127.7 33.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 121.537 -0.727 . . . . 0.0 109.81 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.95 58.9 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.87 -0.961 . . . . 0.0 114.923 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.08 179.05 6.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.286 1.543 . . . . 0.0 111.653 176.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -101.95 168.96 9.07 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.7 156.09 5.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 124.196 0.998 . . . . 0.0 110.607 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -108.82 142.69 39.03 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.048 0.939 . . . . 0.0 109.782 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.7 112.49 15.05 Favored Pre-proline 0 N--CA 1.456 -0.157 0 C-N-CA 122.958 0.503 . . . . 0.0 110.82 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.27 136.07 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.024 2.482 . . . . 0.0 110.363 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.5 t -148.38 148.47 30.38 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.196 0.598 . . . . 0.0 110.324 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -148.22 155.07 40.92 Favored 'General case' 0 CA--C 1.524 -0.058 0 C-N-CA 123.311 0.644 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -150.83 169.19 22.29 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -146.83 154.13 40.98 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.6 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -151.51 160.66 31.43 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.56 151.88 59.23 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.356 2.704 . . . . 0.0 111.924 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.431 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.4 pt20 -89.63 35.94 0.84 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -130.15 155.68 45.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.9 3.39 80.05 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.005 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.431 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -151.52 176.21 11.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.547 0.673 . . . . 0.0 111.232 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -145.57 164.13 32.63 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -62.24 -22.0 65.62 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.016 0.526 . . . . 0.0 111.767 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.6 m -76.3 -16.68 59.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.625 0.37 . . . . 0.0 111.979 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.62 119.97 61.52 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 152.4 44.83 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.006 2.471 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.87 153.15 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.43 ' CD2' HD21 ' A' ' 67' ' ' ASN . 26.1 m80 -136.11 128.92 31.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.18 172.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.74 157.16 16.81 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -151.1 147.45 27.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -119.32 148.02 43.64 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.275 0.63 . . . . 0.0 111.641 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -144.45 152.93 41.33 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.213 0.605 . . . . 0.0 111.389 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -75.13 146.73 41.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 135.67 56.56 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.55 -6.67 82.14 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 119.536 -0.591 . . . . 0.0 113.08 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -70.8 162.19 29.6 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -116.68 97.5 50.39 Favored Pre-proline 0 N--CA 1.456 -0.127 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.98 -7.19 20.12 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.637 2.891 . . . . 0.0 112.501 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.47 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 10.4 m-85 -80.38 -8.36 59.48 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -152.97 -20.97 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -81.38 155.42 25.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.687 0.676 . . . . 0.0 111.109 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.22 143.01 48.0 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.32 157.81 58.14 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.242 2.628 . . . . 0.0 109.538 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 m -78.13 -22.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 O-C-N 121.815 -0.553 . . . . 0.0 109.547 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.27 146.6 13.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.02 0.528 . . . . 0.0 109.601 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t -157.11 157.18 34.03 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -82.7 -11.32 58.43 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.061 0.544 . . . . 0.0 111.171 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.43 HD21 ' CD2' ' A' ' 47' ' ' HIS . 1.5 m120 -64.14 135.86 96.5 Favored Pre-proline 0 N--CA 1.455 -0.195 0 C-N-CA 122.57 0.348 . . . . 0.0 111.703 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.61 -21.59 11.26 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.091 2.528 . . . . 0.0 111.72 174.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -108.51 -25.2 11.05 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 -175.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -73.58 135.3 43.88 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -78.75 173.87 12.03 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m -135.7 161.58 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.258 0.623 . . . . 0.0 111.952 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -54.95 140.97 35.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.969 0.414 . . . . 0.0 111.544 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.99 63.01 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -82.38 -5.63 58.75 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 122.235 -0.291 . . . . 0.0 110.856 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.9 p -125.53 4.62 7.59 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.92 120.37 10.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -12.82 7.11 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.459 -0.634 . . . . 0.0 113.188 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -92.95 -29.16 16.02 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.336 1.068 . . . . 0.0 111.483 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.4 m-85 -106.35 127.95 53.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.73 141.14 26.45 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.41 154.46 38.78 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.072 0.549 . . . . 0.0 109.686 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.404 HD13 ' HB2' ' A' ' 94' ' ' SER . 13.8 mt -131.03 172.35 12.19 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 124.054 0.941 . . . . 0.0 110.199 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.88 -177.47 52.02 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 122.899 0.285 . . . . 0.0 113.107 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.47 142.23 28.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.16 -41.8 81.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.02 0.528 . . . . 0.0 111.056 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -81.77 -6.23 58.87 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.487 0.315 . . . . 0.0 110.803 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -97.13 7.29 46.91 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.299 0.639 . . . . 0.0 111.35 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.65 32.89 21.87 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.469 0.708 . . . . 0.0 112.506 -176.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.54 126.82 31.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.965 -0.459 . . . . 0.0 111.095 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.44 14.29 22.59 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.938 0.495 . . . . 0.0 111.065 174.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -53.0 150.23 5.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.363 0.665 . . . . 0.0 110.946 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.0 tp -135.88 150.12 49.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.671 -173.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.404 ' HB2' HD13 ' A' ' 83' ' ' LEU . 26.9 t -125.43 136.27 53.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.219 0.608 . . . . 0.0 109.58 172.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.78 137.52 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 171.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -126.64 147.54 49.9 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.9 t0 47.96 52.97 12.21 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.21 142.03 44.35 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -136.13 161.78 34.76 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.156 0.982 . . . . 0.0 109.341 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.8 -15.89 24.03 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.02 -4.01 59.0 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.189 0.449 . . . . 0.0 111.499 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -93.18 -17.52 23.62 Favored 'General case' 0 N--CA 1.46 0.073 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -68.43 134.37 50.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.083 0.553 . . . . 0.0 109.711 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.31 -149.19 20.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -125.29 151.94 45.33 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 122.831 0.452 . . . . 0.0 110.956 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -139.9 160.98 38.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.447 1.099 . . . . 0.0 111.219 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -143.77 155.56 44.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -102.57 160.63 14.4 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -140.85 150.39 43.2 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.244 0.474 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.61 133.27 53.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.436 1.094 . . . . 0.0 110.07 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -138.75 130.98 28.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 169.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -154.29 110.51 3.26 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.21 38.55 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -172.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -83.1 -6.84 59.64 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 tpp -68.4 137.11 54.28 Favored 'General case' 0 C--N 1.34 0.181 0 O-C-N 121.937 -0.477 . . . . 0.0 111.078 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -149.1 124.23 10.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.732 1.213 . . . . 0.0 109.333 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.415 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 65.1 t-105 -162.2 130.71 4.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.162 0.437 . . . . 0.0 111.435 174.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.1 m -98.04 130.26 44.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -82.89 76.86 9.7 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.998 1.111 . . . . 0.0 113.998 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -148.93 164.52 34.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.972 0.909 . . . . 0.0 108.721 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.6 p -76.74 157.08 31.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.29 -163.52 1.53 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.196 1.398 . . . . 0.0 110.02 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.07 -48.97 6.26 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.177 1.391 . . . . 0.0 112.748 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.36 -15.9 2.79 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -76.67 141.44 40.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.63 141.35 43.22 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.133 0.573 . . . . 0.0 110.938 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.3 t -155.5 164.21 38.99 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -78.65 156.76 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.628 0.771 . . . . 0.0 111.706 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.01 171.53 14.37 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.588 1.155 . . . . 0.0 111.069 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.89 121.88 44.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.514 0.726 . . . . 0.0 110.07 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 56.7 m -99.39 129.0 45.56 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 171.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -106.32 148.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 173.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.25 155.32 46.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -135.44 143.0 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.097 0 C-N-CA 123.002 0.521 . . . . 0.0 110.026 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -141.52 146.03 35.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.39 151.02 39.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 110.798 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.528 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.58 -21.93 66.63 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.469 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER 54.45 12.63 0.55 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 172.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -152.46 174.54 13.75 Favored 'General case' 0 C--N 1.337 0.057 0 O-C-N 121.576 -0.702 . . . . 0.0 111.614 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 179.73 -0.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.86 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.7 t -158.65 -167.62 2.19 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.92 0.888 . . . . 0.0 108.774 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.71 2.87 1.65 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.015 0.926 . . . . 0.0 111.788 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.2 t -141.35 139.3 18.7 Favored Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.31 160.64 41.43 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.752 2.968 . . . . 0.0 111.413 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.605 -1.188 . . . . 0.0 110.21 -176.586 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.47 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.415 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.477 0.875 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -152.59 147.91 26.73 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.245 0.618 . . . . 0.0 109.942 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.01 160.08 51.13 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.913 -0.475 . . . . 0.0 111.913 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -71.41 157.7 37.59 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -148.74 169.41 20.51 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.562 0.745 . . . . 0.0 109.939 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -65.29 142.9 58.1 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.942 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -57.88 132.73 54.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 172.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.43 10.41 85.65 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.676 -0.513 . . . . 0.0 112.853 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -57.65 133.11 55.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.629 1.215 . . . . 0.0 110.245 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.95 76.01 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-O 119.324 -0.709 . . . . 0.0 111.995 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -102.13 106.14 16.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.045 0.923 . . . . 0.0 110.365 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.43 159.94 41.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.47 0.653 . . . . 0.0 110.795 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -146.46 145.78 30.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.726 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -126.63 126.51 43.71 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.365 0.666 . . . . 0.0 109.619 178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.38 158.17 4.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 122.716 0.406 . . . . 0.0 111.453 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -55.34 128.71 35.44 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.675 0.79 . . . . 0.0 109.72 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.03 -27.73 60.18 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -174.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.7 tp -153.66 124.03 7.06 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.2 t -113.05 128.67 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.2 p -113.94 129.73 56.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 169.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.63 147.23 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.229 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.53 40.14 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -73.94 129.05 37.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.567 -0.708 . . . . 0.0 109.796 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.1 1.11 58.37 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.738 -1.035 . . . . 0.0 114.859 175.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.99 179.15 6.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.351 1.576 . . . . 0.0 111.267 177.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -102.67 169.37 8.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -155.13 153.97 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.287 1.035 . . . . 0.0 110.57 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -108.01 142.93 37.4 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.041 0.936 . . . . 0.0 109.741 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -132.26 112.71 14.39 Favored Pre-proline 0 N--CA 1.456 -0.127 0 C-N-CA 122.935 0.494 . . . . 0.0 110.677 177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.13 136.53 20.26 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.701 2.267 . . . . 0.0 110.255 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.456 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 49.7 t -150.13 142.58 24.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.313 0.645 . . . . 0.0 110.362 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.1 m -143.23 154.65 44.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.743 0.817 . . . . 0.0 110.448 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -151.02 171.27 17.57 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.608 0.64 . . . . 0.0 112.004 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.3 t -148.81 155.28 40.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.77 161.6 28.71 Favored Pre-proline 0 C--O 1.235 0.321 0 C-N-CA 123.978 0.911 . . . . 0.0 113.456 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.22 151.76 57.46 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.39 2.727 . . . . 0.0 111.654 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.425 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -89.58 35.88 0.83 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 112.309 -176.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.97 157.73 41.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.28 3.25 84.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.253 0.454 . . . . 0.0 112.081 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.425 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -151.47 175.02 12.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.573 0.686 . . . . 0.0 111.054 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -144.61 163.12 34.86 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.66 -22.49 65.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.041 0.537 . . . . 0.0 112.27 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.3 m -76.59 -16.22 59.64 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.106 -0.371 . . . . 0.0 111.973 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -97.92 119.94 61.16 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 122.775 0.43 . . . . 0.0 111.39 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.22 153.22 45.79 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.688 2.259 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -75.22 152.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -136.17 130.96 34.01 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.599 171.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.41 157.01 15.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -151.34 147.96 27.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -117.59 147.92 42.39 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.041 0.536 . . . . 0.0 112.099 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.69 153.25 43.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 75.3 mtt-85 -79.81 140.83 36.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.65 138.59 58.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 122.098 -0.376 . . . . 0.0 110.738 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 -5.82 80.85 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 119.158 -0.801 . . . . 0.0 114.141 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -83.63 -176.64 6.39 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.089 1.445 . . . . 0.0 108.11 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -118.6 102.94 49.44 Favored Pre-proline 0 N--CA 1.455 -0.203 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.82 -9.45 25.76 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.136 2.557 . . . . 0.0 111.63 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.533 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 8.9 m-85 -87.84 -5.41 58.62 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -132.91 -32.17 1.25 Allowed 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.578 0.626 . . . . 0.0 111.668 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -91.91 156.75 17.25 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.85 150.24 81.21 Favored Pre-proline 0 N--CA 1.453 -0.306 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.16 155.89 60.38 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.035 2.49 . . . . 0.0 109.569 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.26 -20.58 13.41 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 O-C-N 121.88 -0.512 . . . . 0.0 109.995 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.83 146.61 14.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.003 0.521 . . . . 0.0 109.762 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t -159.15 157.2 30.44 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -86.63 -2.73 58.75 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.153 0.581 . . . . 0.0 111.767 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.46 136.23 96.67 Favored Pre-proline 0 N--CA 1.455 -0.183 0 CA-C-N 117.618 0.19 . . . . 0.0 111.363 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.85 -19.95 12.16 Favored 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 123.207 2.605 . . . . 0.0 111.304 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -112.64 -27.25 8.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -74.87 138.5 42.52 Favored 'General case' 0 N--CA 1.457 -0.112 0 O-C-N 122.062 -0.398 . . . . 0.0 110.385 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -78.33 173.67 12.07 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.834 0.454 . . . . 0.0 110.756 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -136.32 164.13 32.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 C-N-CA 123.546 0.738 . . . . 0.0 110.988 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -55.67 141.41 38.0 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.6 0.238 . . . . 0.0 111.468 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.61 -23.84 62.63 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -86.36 -3.5 59.0 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.12 -0.362 . . . . 0.0 111.157 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 p -124.42 4.59 8.37 Favored 'General case' 0 CA--C 1.524 -0.046 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.2 120.82 11.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.94 -13.93 4.02 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 123.662 0.648 . . . . 0.0 113.075 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -90.72 -30.45 17.07 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 118.72 1.26 . . . . 0.0 111.219 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -106.04 126.46 52.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 176.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.29 141.29 27.17 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 154.51 39.06 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.447 0.699 . . . . 0.0 109.48 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.426 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -131.67 171.68 13.18 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.93 0.892 . . . . 0.0 110.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.03 -178.5 53.79 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 121.035 0.242 . . . . 0.0 113.16 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -88.49 133.28 34.18 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.56 -39.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 111.262 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -82.72 -6.18 59.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.386 0.274 . . . . 0.0 110.702 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -97.35 8.64 44.19 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.197 0.599 . . . . 0.0 111.082 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.74 35.06 25.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.181 0.593 . . . . 0.0 112.438 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -79.02 129.01 33.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.456 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.71 14.06 17.45 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.046 0.538 . . . . 0.0 110.981 174.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -53.11 150.12 6.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.052 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.34 150.27 49.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.503 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.426 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.3 t -125.7 136.35 53.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.159 0.584 . . . . 0.0 109.783 172.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.56 136.97 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -127.27 148.12 50.22 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.915 0.486 . . . . 0.0 109.728 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 t0 48.47 50.12 17.27 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 139.28 50.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.403 0.281 . . . . 0.0 111.695 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -137.46 166.33 24.11 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.882 0.873 . . . . 0.0 110.011 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -59.66 -15.88 22.46 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -81.81 -4.68 57.02 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.565 0.621 . . . . 0.0 111.631 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -94.76 -17.72 21.91 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 117.923 0.329 . . . . 0.0 110.242 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -69.75 135.17 49.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.75 -149.58 21.34 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.4 153.07 43.98 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.763 0.425 . . . . 0.0 110.957 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 74.5 m-85 -140.43 160.44 39.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.172 0.989 . . . . 0.0 111.23 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.27 155.93 44.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -102.18 158.18 16.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.419 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.8 ttt85 -137.92 149.42 46.19 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.008 0.367 . . . . 0.0 110.948 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.17 132.01 53.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.765 1.226 . . . . 0.0 110.614 -175.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -138.74 132.31 30.53 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -153.79 112.31 3.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.7 -122.85 30.84 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -84.74 -11.07 56.57 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.242 0.617 . . . . 0.0 111.845 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 tpp -65.32 135.75 55.72 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 122.013 -0.429 . . . . 0.0 111.267 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -146.69 123.55 11.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.857 1.263 . . . . 0.0 109.571 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.469 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 59.6 t-105 -160.36 141.42 12.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.419 ' HB3' HH11 ' A' ' 109' ' ' ARG . 76.1 p -119.42 133.17 55.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -84.39 78.3 9.84 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -174.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -146.75 161.68 40.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -77.79 156.39 30.54 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.407 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.8 mp0 -139.67 -164.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.348 1.459 . . . . 0.0 109.869 177.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.407 ' H ' ' HB3' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -43.59 -49.71 7.5 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.94 1.296 . . . . 0.0 112.939 -176.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.88 -14.5 3.12 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.71 138.96 38.52 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.17 141.3 42.19 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 123.009 0.524 . . . . 0.0 110.277 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 t -154.82 164.38 38.9 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.455 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.92 153.76 40.85 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.34 1.056 . . . . 0.0 111.56 -176.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -138.77 166.7 23.73 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.086 0.955 . . . . 0.0 110.779 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.29 121.84 46.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.502 0.721 . . . . 0.0 110.112 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.4 m -99.25 129.8 45.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.94 148.14 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.077 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 172.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.05 155.25 46.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -134.45 142.85 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 122.888 0.475 . . . . 0.0 110.225 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.8 t -141.75 146.62 36.21 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.162 0.585 . . . . 0.0 112.555 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.99 149.94 41.0 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.878 -0.514 . . . . 0.0 111.038 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.556 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.8 -25.21 67.14 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.013 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.0 OUTLIER 56.57 -9.5 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 176.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -161.38 163.28 30.73 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.435 0.694 . . . . 0.0 110.158 173.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 66.38 -143.38 44.2 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 94.6 p -147.81 179.82 7.43 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.444 0.697 . . . . 0.0 110.021 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.42 -0.41 10.24 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.1 137.28 97.07 Favored Pre-proline 0 CA--C 1.529 0.158 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -64.16 136.76 53.4 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.233 2.622 . . . . 0.0 111.097 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.165 -1.398 . . . . 0.0 110.292 -175.478 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.533 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.469 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -80.6 -11.51 59.64 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.57 169.76 53.73 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.51 153.16 44.3 Favored 'General case' 0 C--N 1.334 -0.077 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -157.68 169.37 24.81 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.029 0.531 . . . . 0.0 110.5 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.13 140.0 58.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.131 0.572 . . . . 0.0 109.86 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -57.67 133.43 55.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.88 10.7 86.04 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.908 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.29 130.22 43.59 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.337 1.069 . . . . 0.0 112.479 175.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.21 80.33 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.718 -0.49 . . . . 0.0 111.941 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -102.04 107.3 18.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.864 0.832 . . . . 0.0 108.788 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.04 162.44 35.48 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -147.74 146.29 29.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.432 0.693 . . . . 0.0 109.464 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -126.06 127.02 45.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -152.41 157.25 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.537 0.335 . . . . 0.0 111.492 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -52.83 130.85 34.31 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.895 0.878 . . . . 0.0 110.375 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.77 -30.69 61.54 Favored 'General case' 0 N--CA 1.458 -0.06 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.9 tp -154.17 122.02 5.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.041 0.448 . . . . 0.0 109.979 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.6 t -109.58 128.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.1 p -114.8 128.78 56.49 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 169.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -133.7 147.15 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.221 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.66 155.63 40.28 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 110.601 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -73.8 127.59 33.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 121.445 -0.784 . . . . 0.0 109.618 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.56 1.43 58.99 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 118.871 -0.961 . . . . 0.0 115.077 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.56 -179.99 5.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.342 1.571 . . . . 0.0 111.515 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.6 p -103.55 168.94 8.83 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.29 155.0 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.396 1.078 . . . . 0.0 110.542 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -108.82 142.52 39.27 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 110.089 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.0 t -131.22 112.2 15.61 Favored Pre-proline 0 CA--C 1.528 0.102 0 C-N-CA 123.02 0.528 . . . . 0.0 110.668 177.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.49 135.98 18.87 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.729 2.286 . . . . 0.0 110.282 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.468 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -148.22 147.2 29.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.014 0.525 . . . . 0.0 110.334 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -147.28 155.81 42.38 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 123.25 0.62 . . . . 0.0 110.775 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -150.91 169.45 21.7 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.9 t -147.85 153.54 39.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.857 0.463 . . . . 0.0 111.111 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -154.44 160.36 31.0 Favored Pre-proline 0 N--CA 1.454 -0.265 0 C-N-CA 123.752 0.821 . . . . 0.0 113.105 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -59.35 154.23 48.45 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.164 2.576 . . . . 0.0 111.629 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.479 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -81.75 13.2 3.33 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 151.32 20.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.45 4.94 89.96 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.855 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.479 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.76 174.16 12.48 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.454 1.127 . . . . 0.0 111.258 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -145.04 163.26 34.78 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -59.05 -23.8 62.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -76.27 -16.21 59.84 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -96.76 120.14 62.41 Favored Pre-proline 0 C--O 1.232 0.16 0 C-N-CA 122.87 0.468 . . . . 0.0 111.289 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.63 152.28 37.71 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.954 2.436 . . . . 0.0 110.42 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -72.4 153.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -136.24 128.73 30.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.618 0.247 . . . . 0.0 110.573 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 156.51 16.52 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.599 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -149.96 146.47 27.05 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -118.27 145.95 44.66 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.947 0.499 . . . . 0.0 112.031 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -142.7 153.06 43.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -79.28 141.99 36.55 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.86 137.06 57.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.161 -0.337 . . . . 0.0 110.908 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.72 -3.46 86.77 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.012 -0.882 . . . . 0.0 114.417 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -85.26 -177.64 6.55 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.205 1.502 . . . . 0.0 108.498 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -116.79 107.33 46.46 Favored Pre-proline 0 C--N 1.339 0.137 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -71.62 -11.38 27.99 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 123.456 2.771 . . . . 0.0 111.618 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.479 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 9.3 m-85 -85.64 -6.3 59.16 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -135.59 -33.97 0.85 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.736 0.698 . . . . 0.0 111.591 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -90.42 159.03 16.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.44 146.42 65.92 Favored Pre-proline 0 N--CA 1.451 -0.421 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.14 159.1 54.32 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.458 2.772 . . . . 0.0 109.883 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.8 m -79.36 -20.55 12.51 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.075 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.5 146.2 13.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -160.45 156.93 26.79 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -88.58 -5.0 58.46 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.229 0.612 . . . . 0.0 111.788 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.32 136.29 84.15 Favored Pre-proline 0 N--CA 1.454 -0.244 0 CA-C-N 117.819 0.281 . . . . 0.0 110.592 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.22 -23.63 10.14 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.006 2.471 . . . . 0.0 111.393 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -98.61 -28.41 13.57 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -77.79 134.75 37.96 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -82.46 176.47 9.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.39 161.86 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 C-N-CA 122.956 0.502 . . . . 0.0 111.886 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -56.78 142.37 40.89 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 121.059 0.457 . . . . 0.0 111.261 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.64 -23.94 62.62 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -85.36 -3.39 58.82 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.792 0.269 . . . . 0.0 111.199 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.404 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -126.34 5.31 6.99 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.74 119.73 9.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.19 -13.91 5.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.336 -0.702 . . . . 0.0 113.356 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -90.34 -29.62 17.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 118.404 1.102 . . . . 0.0 111.314 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.3 m-85 -105.49 127.97 53.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 175.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -147.06 142.07 27.03 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.85 154.47 39.46 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.431 0.692 . . . . 0.0 109.431 175.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.432 HD13 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -133.55 172.66 12.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.963 0.905 . . . . 0.0 110.136 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.47 -178.13 53.2 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 121.186 0.325 . . . . 0.0 113.114 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.45 132.67 33.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.48 -40.0 86.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.393 0.677 . . . . 0.0 111.151 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -82.21 -8.5 59.65 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.572 0.349 . . . . 0.0 110.798 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -95.49 8.59 42.84 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.437 0.695 . . . . 0.0 111.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 56.96 34.03 24.24 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.15 0.58 . . . . 0.0 112.316 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -78.14 126.77 31.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.074 -0.391 . . . . 0.0 111.417 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.468 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -111.52 14.56 21.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.2 0.6 . . . . 0.0 111.169 174.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -53.31 150.05 6.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.094 0.558 . . . . 0.0 111.117 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.2 tp -134.9 149.59 50.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.698 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.432 ' HB2' HD13 ' A' ' 83' ' ' LEU . 23.5 t -125.4 135.66 52.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.262 0.625 . . . . 0.0 109.592 173.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.08 136.31 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -126.5 147.52 49.82 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.792 0.437 . . . . 0.0 109.839 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 47.61 53.37 11.27 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.92 141.84 43.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -137.24 164.16 29.18 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 124.477 1.111 . . . . 0.0 109.105 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.92 -15.66 33.5 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -173.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -82.31 -4.1 56.58 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.209 0.459 . . . . 0.0 111.793 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -93.71 -16.76 23.91 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -72.42 136.38 46.03 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.884 0.474 . . . . 0.0 109.816 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.36 -148.19 19.14 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.1 t -126.97 151.46 48.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.713 0.405 . . . . 0.0 110.887 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -139.1 162.26 35.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.321 1.048 . . . . 0.0 110.776 -178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -144.56 157.77 44.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -104.22 160.08 15.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -139.84 148.0 41.51 Favored 'General case' 0 C--N 1.335 -0.026 0 CA-C-N 118.184 0.447 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.5 tp -121.08 134.39 55.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.45 1.1 . . . . 0.0 110.084 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.6 132.49 29.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 169.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -155.09 110.95 3.14 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -123.12 32.15 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -83.68 -11.92 56.58 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.05 0.54 . . . . 0.0 111.757 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.8 tpp -66.09 136.95 56.69 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 121.828 -0.545 . . . . 0.0 111.681 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -148.41 124.01 10.43 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.067 1.347 . . . . 0.0 109.331 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.456 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.4 t-105 -160.79 127.58 4.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.354 0.525 . . . . 0.0 111.361 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -96.0 133.09 40.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.199 0.6 . . . . 0.0 109.456 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -84.25 78.57 9.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -146.69 158.09 43.83 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.453 1.101 . . . . 0.0 109.029 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.0 t -81.29 150.28 28.6 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.96 -163.18 1.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.223 1.409 . . . . 0.0 110.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -42.53 -48.6 5.34 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 125.392 1.477 . . . . 0.0 113.187 -176.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 -13.09 3.22 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -78.2 142.39 37.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -138.49 140.07 39.04 Favored 'General case' 0 C--N 1.337 0.057 0 C-N-CA 122.801 0.441 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 t -155.21 164.75 38.38 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -72.63 153.44 41.23 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -175.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.4 168.34 19.82 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.255 1.022 . . . . 0.0 110.986 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.9 tp -113.38 127.88 56.27 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.443 0.697 . . . . 0.0 109.847 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.1 m -103.89 133.36 49.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.13 148.34 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.21 45.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.97 142.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 C-N-CA 122.879 0.472 . . . . 0.0 110.189 -176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.42 146.31 36.39 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.71 149.36 39.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 122.22 -0.3 . . . . 0.0 110.885 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.537 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.44 -22.6 66.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 173.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.316 1.2 t 54.43 15.16 0.93 Allowed 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 173.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -134.32 -4.32 2.68 Favored 'General case' 0 CA--C 1.528 0.126 0 O-C-N 121.844 -0.535 . . . . 0.0 111.748 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -67.35 -11.94 60.16 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.8 m -79.38 4.8 14.29 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 117.37 0.585 . . . . 0.0 111.882 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 61.9 mt 60.49 10.29 2.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.046 0.938 . . . . 0.0 112.941 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 61.58 130.1 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 125.147 1.379 . . . . 0.0 114.297 -175.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.03 156.81 62.68 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.173 2.582 . . . . 0.0 110.411 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.13 -1.414 . . . . 0.0 110.294 -174.189 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.479 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.456 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -68.67 -12.79 61.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.684 0.393 . . . . 0.0 111.69 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.21 -1.68 83.96 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 123.168 0.413 . . . . 0.0 112.478 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -66.04 152.44 44.64 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -70.75 168.14 17.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.465 0.706 . . . . 0.0 111.298 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -65.01 139.84 58.79 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.944 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 12.0 t80 -58.56 134.43 56.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 172.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.36 9.03 87.37 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.597 -0.557 . . . . 0.0 112.543 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -57.06 132.32 52.54 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.62 1.21 . . . . 0.0 112.26 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 -8.4 75.23 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 119.553 -0.582 . . . . 0.0 111.958 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.65 103.29 14.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 117.807 0.804 . . . . 0.0 110.777 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.69 160.59 39.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.503 0.668 . . . . 0.0 110.62 176.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -146.85 146.33 30.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.568 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -126.06 126.81 44.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.19 157.57 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.664 0.269 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -53.03 130.77 34.91 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.711 0.804 . . . . 0.0 110.159 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.06 -29.4 60.72 Favored 'General case' 0 C--O 1.23 0.07 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -155.5 121.75 5.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.996 0.427 . . . . 0.0 110.24 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.1 t -109.24 121.83 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 p -106.02 127.26 53.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.37 144.85 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.04 155.87 39.84 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 110.768 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -72.17 128.22 34.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.668 -0.645 . . . . 0.0 110.032 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.4 1.99 60.5 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 118.81 -0.995 . . . . 0.0 114.78 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.06 179.22 6.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.387 1.593 . . . . 0.0 111.69 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -103.62 168.29 9.24 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -175.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -155.0 148.92 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.211 1.004 . . . . 0.0 111.044 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -102.2 142.57 33.23 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.705 0.802 . . . . 0.0 110.047 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.2 t -131.2 111.47 15.49 Favored Pre-proline 0 N--CA 1.455 -0.176 0 C-N-CA 122.993 0.517 . . . . 0.0 110.683 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.75 135.71 19.95 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.874 2.382 . . . . 0.0 110.1 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.0 t -148.61 147.01 28.49 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.774 0.43 . . . . 0.0 110.363 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.5 t -148.18 155.63 41.62 Favored 'General case' 0 C--N 1.335 -0.042 0 C-N-CA 122.788 0.435 . . . . 0.0 110.268 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -150.86 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.274 0.559 . . . . 0.0 112.492 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -148.19 154.58 40.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.45 159.96 31.92 Favored Pre-proline 0 N--CA 1.455 -0.222 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.96 152.05 53.45 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.177 2.585 . . . . 0.0 111.973 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -89.83 36.11 0.85 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 123.585 0.754 . . . . 0.0 112.494 -176.296 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.65 155.61 45.57 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.84 4.4 82.38 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.654 -0.526 . . . . 0.0 112.244 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.428 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -152.07 174.98 13.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 117.732 0.766 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -143.18 162.62 35.11 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -61.41 -21.36 64.03 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -76.18 -23.38 54.69 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.513 0.325 . . . . 0.0 111.358 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -89.56 121.15 69.45 Favored Pre-proline 0 N--CA 1.454 -0.228 0 CA-C-O 119.066 -0.492 . . . . 0.0 111.42 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.95 153.54 42.1 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.726 2.284 . . . . 0.0 110.505 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.39 151.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.457 ' CD2' HD21 ' A' ' 67' ' ' ASN . 28.8 m80 -136.15 129.83 32.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.159 0.504 . . . . 0.0 110.474 172.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.38 157.79 15.72 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -151.8 148.28 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -118.1 148.06 42.67 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -145.69 155.95 43.32 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.365 0.666 . . . . 0.0 111.773 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.2 mtm180 -86.62 145.76 26.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.95 140.75 57.69 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.36 -3.33 85.15 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-O 118.986 -0.897 . . . . 0.0 114.625 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.3 p30 -87.08 -170.55 3.11 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.31 1.555 . . . . 0.0 107.984 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -125.05 105.07 29.19 Favored Pre-proline 0 CA--C 1.528 0.103 0 C-N-CA 123.263 0.625 . . . . 0.0 109.515 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.36 -10.4 26.99 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 123.525 2.817 . . . . 0.0 111.701 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.58 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 7.7 m-85 -86.49 -5.39 59.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -134.02 -34.65 0.98 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.658 0.663 . . . . 0.0 111.294 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -90.76 154.86 19.23 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.28 151.17 85.58 Favored Pre-proline 0 N--CA 1.453 -0.291 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -70.91 155.18 62.59 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.133 2.555 . . . . 0.0 110.041 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 m -77.62 -20.57 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.06 148.08 13.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.669 0.387 . . . . 0.0 109.994 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t -158.59 157.9 32.86 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 122.35 0.26 . . . . 0.0 111.46 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -86.89 -4.4 59.17 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.295 0.638 . . . . 0.0 111.717 174.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.457 HD21 ' CD2' ' A' ' 47' ' ' HIS . 2.5 m120 -63.62 135.32 96.22 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 118.313 0.506 . . . . 0.0 111.23 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -77.91 -20.43 11.74 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.111 2.54 . . . . 0.0 111.653 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -112.44 -25.53 9.15 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 -174.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -74.93 139.43 43.03 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 117.96 0.346 . . . . 0.0 110.301 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -79.37 173.36 12.66 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 121.092 0.472 . . . . 0.0 110.401 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.13 164.85 30.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.086 0 C-N-CA 123.83 0.852 . . . . 0.0 110.74 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.68 139.01 40.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -20.9 63.2 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.324 0.25 . . . . 0.0 111.436 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -89.03 -2.12 58.42 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.694 0.398 . . . . 0.0 111.295 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.0 p -126.27 5.15 7.04 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 176.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.49 120.74 11.69 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -175.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.35 -14.44 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.441 -0.644 . . . . 0.0 112.898 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -88.75 -31.28 18.49 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.519 1.159 . . . . 0.0 110.85 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -107.46 126.58 52.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -146.71 141.92 27.29 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.19 154.45 39.05 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.369 0.668 . . . . 0.0 109.78 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.407 HD12 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -131.33 172.24 12.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.002 0.921 . . . . 0.0 110.188 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.79 -179.23 52.76 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 121.066 0.259 . . . . 0.0 112.903 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.39 132.9 33.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.97 -39.81 85.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.544 0.738 . . . . 0.0 111.072 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -82.52 -7.3 59.64 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.469 0.308 . . . . 0.0 110.91 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -96.88 8.92 43.32 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.251 0.62 . . . . 0.0 111.108 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 56.86 34.14 24.29 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.271 0.629 . . . . 0.0 112.209 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.2 128.01 32.76 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.089 -0.382 . . . . 0.0 111.808 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -113.95 14.59 18.5 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 123.283 0.633 . . . . 0.0 111.153 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.7 m -52.96 150.26 5.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.926 0.49 . . . . 0.0 110.941 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.7 tp -135.65 149.05 49.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.636 -174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.407 ' HB2' HD12 ' A' ' 83' ' ' LEU . 20.6 t -124.05 134.29 53.45 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.33 0.652 . . . . 0.0 109.698 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.7 136.69 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.12 149.01 50.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.37 53.18 12.35 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 143.79 37.12 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -138.12 161.7 36.1 Favored 'General case' 0 CA--C 1.523 -0.079 0 C-N-CA 124.25 1.02 . . . . 0.0 109.447 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.69 -15.3 27.46 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -85.19 -2.42 58.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.971 0.509 . . . . 0.0 111.591 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -95.83 -18.5 20.33 Favored 'General case' 0 C--N 1.338 0.095 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.63 136.68 54.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.997 0.519 . . . . 0.0 109.868 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.36 -150.53 22.37 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.3 t -123.08 152.82 40.68 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.035 0.534 . . . . 0.0 110.601 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 59.0 m-85 -137.2 157.91 45.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.669 1.188 . . . . 0.0 112.608 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -144.03 153.39 42.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -101.58 157.43 16.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -136.29 149.79 48.61 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 122.644 0.378 . . . . 0.0 111.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tp -127.4 131.78 50.24 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.514 1.125 . . . . 0.0 110.178 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.34 131.35 27.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -154.11 112.19 3.54 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.22 -125.22 38.38 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.1 t -83.17 -11.28 58.04 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.875 0.47 . . . . 0.0 111.809 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.6 tpp -64.66 135.48 55.96 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 121.748 -0.595 . . . . 0.0 111.434 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -145.62 124.63 12.79 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.714 1.206 . . . . 0.0 109.251 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.447 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.3 t-105 -161.82 150.47 15.44 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.9 p -133.81 136.26 44.35 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.12 78.34 9.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -170.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -148.05 154.36 40.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -65.11 156.15 32.55 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.19 -165.14 1.95 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.267 1.427 . . . . 0.0 109.474 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.72 -48.82 20.26 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.047 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.66 -13.57 3.3 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.75 0.42 . . . . 0.0 111.937 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -75.49 142.68 42.84 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -139.23 138.23 36.65 Favored 'General case' 0 CA--C 1.524 -0.051 0 C-N-CA 123.188 0.595 . . . . 0.0 110.25 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 t -154.56 166.12 34.33 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.7 153.2 43.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.872 1.269 . . . . 0.0 112.037 -174.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -139.08 168.46 19.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.226 1.011 . . . . 0.0 110.626 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 19.3 tp -114.89 123.77 50.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.494 0.718 . . . . 0.0 109.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 73.8 m -99.48 131.98 45.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 170.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.46 148.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.66 155.07 46.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.23 143.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.627 0.371 . . . . 0.0 110.179 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -142.18 145.77 34.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.2 0.6 . . . . 0.0 112.475 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.19 149.61 40.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.018 -0.426 . . . . 0.0 111.0 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.511 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.43 -33.74 76.58 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.865 0.466 . . . . 0.0 110.19 176.247 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.323 0.8 OUTLIER 53.73 11.4 0.31 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 176.319 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.15 15.1 1.68 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -177.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.6 15.12 80.7 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.086 -0.841 . . . . 0.0 114.72 172.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 96.8 p -146.14 158.67 43.88 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.776 1.288 . . . . 0.0 111.198 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.97 8.81 5.0 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.7 0.8 . . . . 0.0 112.54 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.48 HG13 ' H ' ' A' ' 145' ' ' ARG . 45.9 t -67.73 129.64 93.3 Favored Pre-proline 0 CA--C 1.529 0.171 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.86 3.26 5.7 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 124.169 3.246 . . . . 0.0 113.065 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.48 ' H ' HG13 ' A' ' 143' ' ' VAL . 84.2 mmt-85 . . . . . 0 C--O 1.252 1.19 0 CA-C-O 117.013 -1.47 . . . . 0.0 110.722 -176.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.58 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.447 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mtp . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.882 -0.044 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -69.11 159.87 32.11 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.098 0.559 . . . . 0.0 111.314 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.86 -175.41 46.73 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -71.13 162.38 29.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -153.08 169.37 23.12 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.483 0.713 . . . . 0.0 110.412 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.18 138.51 58.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.305 0.642 . . . . 0.0 109.942 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.24 133.75 52.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.46 11.63 85.3 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 119.7 -0.5 . . . . 0.0 113.062 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -54.89 130.5 41.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.513 1.157 . . . . 0.0 112.64 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.75 -7.68 81.36 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.36 -0.689 . . . . 0.0 112.088 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -101.42 104.28 15.22 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.029 0.915 . . . . 0.0 110.219 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.86 162.93 34.25 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.307 0.575 . . . . 0.0 110.665 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.46 146.55 28.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.697 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -129.3 131.66 47.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -152.91 159.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 110.321 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.63 128.42 32.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -76.09 -26.61 56.63 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -155.3 122.36 5.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.855 0.462 . . . . 0.0 109.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.7 t -110.12 124.85 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -109.08 128.76 55.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.87 146.1 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.34 156.37 39.16 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.179 0.514 . . . . 0.0 110.851 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -73.48 128.54 35.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.721 -0.612 . . . . 0.0 110.019 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.01 2.29 60.99 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.723 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.16 178.35 6.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.487 1.644 . . . . 0.0 111.508 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -101.66 168.91 9.17 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -154.41 154.07 7.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.281 1.032 . . . . 0.0 110.698 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -107.34 141.95 37.9 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.638 0.775 . . . . 0.0 109.695 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.9 t -130.42 111.51 16.54 Favored Pre-proline 0 N--CA 1.455 -0.211 0 C-N-CA 123.12 0.568 . . . . 0.0 110.726 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.1 135.81 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.771 2.314 . . . . 0.0 110.305 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.8 t -148.64 147.94 29.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.747 0.419 . . . . 0.0 110.352 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -147.88 155.54 41.72 Favored 'General case' 0 C--O 1.23 0.04 0 C-N-CA 123.486 0.714 . . . . 0.0 110.365 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -150.68 169.72 20.94 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 t -146.82 152.81 39.36 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 122.78 0.432 . . . . 0.0 110.756 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -153.63 159.98 31.47 Favored Pre-proline 0 C--O 1.232 0.162 0 C-N-CA 124.018 0.927 . . . . 0.0 113.303 -175.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.33 153.38 53.97 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.349 2.699 . . . . 0.0 111.522 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.483 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -82.83 14.35 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -92.65 149.62 21.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.47 5.28 87.09 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.157 -0.802 . . . . 0.0 113.061 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.483 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -149.07 173.77 13.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.652 1.226 . . . . 0.0 111.197 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -143.63 162.28 36.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.16 -22.85 61.59 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -75.21 -22.31 58.03 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 122.212 -0.305 . . . . 0.0 111.581 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -89.66 120.94 69.52 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 122.831 0.452 . . . . 0.0 111.729 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 153.55 39.71 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.089 2.526 . . . . 0.0 110.171 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.12 153.26 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.451 ' CD2' HD21 ' A' ' 67' ' ' ASN . 29.0 m80 -135.94 127.77 29.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 171.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.88 157.44 17.31 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -151.08 148.35 28.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -122.12 148.55 44.76 Favored 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 122.978 0.511 . . . . 0.0 111.831 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -145.57 154.39 42.11 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.063 0.545 . . . . 0.0 110.746 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -75.78 147.53 39.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.39 137.06 58.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.28 -5.64 82.75 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.505 -0.608 . . . . 0.0 112.959 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -72.72 168.26 19.12 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.2 mmt-85 -122.91 97.71 43.5 Favored Pre-proline 0 C--O 1.232 0.134 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.4 -7.44 20.95 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.702 2.935 . . . . 0.0 112.583 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.488 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 11.1 m-85 -82.77 -4.66 58.26 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -152.57 -23.67 0.17 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -82.48 156.41 24.09 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.399 0.545 . . . . 0.0 111.164 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.86 145.81 58.31 Favored Pre-proline 0 N--CA 1.455 -0.192 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.18 156.78 55.01 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.237 2.625 . . . . 0.0 109.83 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -77.25 -22.79 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 O-C-N 121.843 -0.536 . . . . 0.0 109.579 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.95 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.144 0.578 . . . . 0.0 109.545 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.2 t -157.67 157.55 33.77 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.881 0.372 . . . . 0.0 111.729 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.45 -11.17 59.32 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.067 0.547 . . . . 0.0 111.318 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.451 HD21 ' CD2' ' A' ' 47' ' ' HIS . 2.1 m120 -62.72 133.78 95.13 Favored Pre-proline 0 C--N 1.34 0.159 0 CA-C-N 117.996 0.362 . . . . 0.0 111.347 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.42 -20.08 12.71 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.131 2.554 . . . . 0.0 111.614 174.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -110.37 -25.27 10.17 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -76.07 139.36 41.35 Favored 'General case' 0 N--CA 1.458 -0.056 0 O-C-N 122.04 -0.413 . . . . 0.0 110.362 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -79.1 174.43 11.57 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.891 0.476 . . . . 0.0 110.481 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.96 162.93 35.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 123.238 0.615 . . . . 0.0 111.513 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -53.74 141.18 27.45 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.496 0.318 . . . . 0.0 111.276 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.66 -25.92 63.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -82.34 -5.06 58.35 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.923 0.329 . . . . 0.0 110.878 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.418 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -124.59 4.57 8.25 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 178.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.96 121.04 11.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -8.32 20.17 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.24 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -99.16 -29.3 12.93 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.345 1.073 . . . . 0.0 111.645 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.418 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.0 m-85 -104.52 127.74 52.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.38 139.21 25.46 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.6 154.42 38.56 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.074 0.549 . . . . 0.0 109.794 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.447 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.8 mt -131.51 173.17 11.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.248 1.019 . . . . 0.0 110.076 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.66 -179.03 52.77 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 121.212 0.34 . . . . 0.0 113.143 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.77 131.77 34.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.38 -38.7 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.447 0.699 . . . . 0.0 111.042 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.48 -5.49 59.18 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.66 0.384 . . . . 0.0 110.999 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -100.43 10.53 41.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.352 0.661 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 57.11 33.44 23.33 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.303 0.641 . . . . 0.0 112.473 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -78.55 128.31 33.36 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.587 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.466 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -112.81 15.1 19.94 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.152 0.581 . . . . 0.0 111.084 174.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.7 m -53.44 150.44 6.59 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.011 0.524 . . . . 0.0 111.063 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -135.82 150.52 49.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.382 -174.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.447 ' HB2' HD11 ' A' ' 83' ' ' LEU . 27.0 t -127.08 133.74 50.38 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.978 0.511 . . . . 0.0 109.763 172.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -103.64 137.99 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -126.99 146.38 50.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.079 0.552 . . . . 0.0 109.88 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 48.52 53.26 12.38 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 141.71 45.03 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -137.68 163.84 30.3 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.161 0.984 . . . . 0.0 109.567 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.2 -16.35 32.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -171.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.29 -7.08 59.62 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.224 0.466 . . . . 0.0 111.48 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -90.55 -18.74 24.72 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.97 134.76 49.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.936 0.494 . . . . 0.0 109.821 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.45 -147.51 17.49 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.1 t -127.51 152.48 47.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.983 0.513 . . . . 0.0 110.642 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -139.79 161.03 38.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.455 1.102 . . . . 0.0 111.479 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -144.1 155.64 44.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -102.87 160.61 14.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -140.78 150.41 43.31 Favored 'General case' 0 C--N 1.335 -0.053 0 O-C-N 121.952 -0.468 . . . . 0.0 110.512 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -124.01 134.84 53.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.438 1.095 . . . . 0.0 110.255 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -139.97 131.97 27.82 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -153.92 111.65 3.51 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.47 -124.43 35.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -82.56 -11.42 58.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.172 0.589 . . . . 0.0 111.88 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.9 tpp -65.64 137.01 57.05 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 121.809 -0.557 . . . . 0.0 111.519 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.12 124.75 11.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.612 1.165 . . . . 0.0 109.503 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.469 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.2 t-105 -160.98 127.62 4.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 118.276 0.489 . . . . 0.0 111.182 175.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 m -96.16 130.09 43.29 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 123.102 0.561 . . . . 0.0 109.54 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -82.17 77.46 8.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -146.42 162.68 37.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.4 p -77.88 156.61 30.25 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.404 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.6 mp0 -140.64 -164.21 1.69 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.247 1.419 . . . . 0.0 110.111 177.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.404 ' H ' ' HB3' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -43.6 -49.43 7.58 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 125.492 1.517 . . . . 0.0 113.007 -177.188 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -15.26 3.1 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -79.04 137.52 37.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -135.21 141.45 45.82 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 122.916 0.486 . . . . 0.0 110.413 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 t -153.2 162.04 41.75 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.6 155.63 33.39 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.554 0.742 . . . . 0.0 111.769 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -136.2 171.31 14.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 124.528 1.131 . . . . 0.0 110.938 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.61 123.25 49.49 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.753 0.821 . . . . 0.0 109.993 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 m -100.23 131.38 46.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 170.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.43 148.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.51 154.96 47.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.39 142.84 40.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 122.982 0.513 . . . . 0.0 110.446 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -142.67 145.29 33.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.267 0.627 . . . . 0.0 112.687 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.65 41.56 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.904 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.525 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.83 -19.28 65.83 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.127 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.33 1.1 t 53.89 18.02 1.5 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 117.108 2.262 . . . . 0.0 117.108 173.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -146.37 171.39 15.08 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 121.883 -0.511 . . . . 0.0 110.415 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -178.08 177.22 48.35 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.0 t -156.15 -176.54 6.02 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.024 0.529 . . . . 0.0 109.659 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.83 -9.75 55.89 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.131 0.972 . . . . 0.0 111.91 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 62.76 133.52 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 125.434 1.494 . . . . 0.0 114.256 -177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.14 124.05 15.28 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.969 2.446 . . . . 0.0 111.044 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 47.7 mtm105 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.727 -177.014 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.488 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.469 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 tpp . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -76.09 -5.82 48.31 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.41 -166.47 54.6 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -158.04 164.06 37.09 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -154.88 170.02 22.65 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.06 0.544 . . . . 0.0 110.57 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.01 140.52 58.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.28 0.632 . . . . 0.0 109.82 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.67 132.89 54.6 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.14 12.22 84.82 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.833 -0.426 . . . . 0.0 113.189 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -55.85 129.62 40.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.436 1.118 . . . . 0.0 112.573 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.07 -6.52 83.56 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.51 -0.605 . . . . 0.0 111.873 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -101.9 104.01 14.7 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.693 0.746 . . . . 0.0 110.388 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.01 162.58 35.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.152 0.501 . . . . 0.0 110.832 176.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -147.7 146.81 29.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.11 -174.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -129.66 131.02 46.28 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.14 0.576 . . . . 0.0 109.552 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -152.74 160.23 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 122.943 0.497 . . . . 0.0 110.642 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.51 128.53 32.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -76.58 -27.55 55.86 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.43 122.35 5.92 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.854 0.461 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.9 t -110.1 124.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -109.0 127.98 54.55 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 173.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.05 146.02 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.63 156.78 38.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.977 0.418 . . . . 0.0 110.843 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -73.32 128.16 34.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.821 -0.549 . . . . 0.0 109.903 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 1.75 59.91 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.618 -1.101 . . . . 0.0 114.56 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 179.6 5.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.448 1.624 . . . . 0.0 111.425 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.9 p -103.3 169.51 8.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -175.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -156.22 149.08 11.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.178 0.991 . . . . 0.0 110.64 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -101.72 144.22 30.68 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.712 0.805 . . . . 0.0 109.583 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.7 t -132.3 111.79 14.15 Favored Pre-proline 0 C--N 1.334 -0.069 0 C-N-CA 123.276 0.63 . . . . 0.0 110.897 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.57 136.21 18.99 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.905 2.403 . . . . 0.0 110.182 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.9 t -148.61 147.75 29.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.092 0.557 . . . . 0.0 110.329 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -148.02 155.53 41.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.313 0.645 . . . . 0.0 110.34 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -150.81 168.45 24.4 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 t -145.55 152.99 40.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.104 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -153.0 158.45 32.88 Favored Pre-proline 0 CA--C 1.529 0.152 0 C-N-CA 124.605 1.162 . . . . 0.0 112.856 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -62.82 153.32 73.51 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.773 2.315 . . . . 0.0 110.548 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.485 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -80.24 13.95 2.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -91.14 149.6 21.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.38 4.76 87.7 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.231 -0.76 . . . . 0.0 113.456 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.485 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -148.85 174.61 12.04 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.594 1.197 . . . . 0.0 111.22 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -144.8 162.35 36.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.89 -22.31 62.2 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.4 t -75.51 -19.23 59.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.134 -0.354 . . . . 0.0 111.523 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -94.39 121.81 62.64 Favored Pre-proline 0 N--CA 1.455 -0.188 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.99 153.77 37.42 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.935 2.423 . . . . 0.0 110.478 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.76 151.97 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -136.26 122.87 20.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.003 -0.435 . . . . 0.0 110.081 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.66 159.72 18.3 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.75 149.06 28.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -122.19 147.7 45.85 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -145.18 153.77 41.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.058 0.543 . . . . 0.0 110.964 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -75.67 146.99 39.79 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.58 136.07 57.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.23 -7.23 80.86 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.497 -0.613 . . . . 0.0 112.905 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -70.46 160.73 31.84 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -113.02 97.44 42.26 Favored Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.65 -9.06 25.2 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.646 2.898 . . . . 0.0 112.898 -171.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.481 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 6.7 m-85 -83.15 -6.58 59.53 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.43 -21.6 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -84.33 156.43 21.9 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 118.363 0.529 . . . . 0.0 110.683 174.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.86 143.45 53.79 Favored Pre-proline 0 N--CA 1.451 -0.392 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -71.08 158.86 54.0 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.23 2.62 . . . . 0.0 109.578 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -79.33 -21.88 12.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 O-C-N 121.894 -0.504 . . . . 0.0 109.715 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.06 146.72 14.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.946 0.498 . . . . 0.0 109.72 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -157.25 157.62 34.6 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.19 0.306 . . . . 0.0 111.722 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -80.9 -15.91 55.01 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.908 0.483 . . . . 0.0 111.41 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -69.77 134.94 87.96 Favored Pre-proline 0 N--CA 1.455 -0.176 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.7 -24.46 11.73 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.567 2.845 . . . . 0.0 111.429 173.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -95.53 -28.45 14.86 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -77.04 134.28 38.84 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -79.72 174.7 11.32 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.17 162.03 36.67 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 C-N-CA 123.017 0.527 . . . . 0.0 111.945 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -55.09 140.9 36.57 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 111.39 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -24.85 63.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.673 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -82.67 -5.93 59.11 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.765 0.257 . . . . 0.0 111.033 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -125.25 5.83 7.78 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.95 119.87 9.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.06 -14.41 4.82 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 123.663 0.649 . . . . 0.0 113.526 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -89.58 -30.02 18.47 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.4 1.1 . . . . 0.0 111.273 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.7 m-85 -103.34 127.64 50.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -138.61 135.71 35.22 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 154.0 39.03 Favored 'General case' 0 C--N 1.335 -0.065 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.456 HD13 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -136.5 174.0 11.1 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.44 0.696 . . . . 0.0 110.337 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.04 -177.95 52.86 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 122.965 0.317 . . . . 0.0 112.411 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -87.01 130.96 34.23 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.33 -38.64 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.394 0.677 . . . . 0.0 110.776 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -83.51 -4.22 58.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.475 0.31 . . . . 0.0 111.004 -175.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -101.14 10.4 40.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 56.25 34.47 24.07 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.486 0.714 . . . . 0.0 112.312 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.67 127.85 32.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 174.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.1 p -113.03 15.07 19.7 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.019 0.528 . . . . 0.0 110.987 175.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -52.64 150.24 5.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.041 0.537 . . . . 0.0 111.354 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.2 tp -135.23 151.64 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.296 0.639 . . . . 0.0 110.342 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.456 ' HB2' HD13 ' A' ' 83' ' ' LEU . 11.9 t -126.83 138.88 53.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.459 0.704 . . . . 0.0 109.548 172.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -111.54 135.9 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -126.36 147.5 49.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.714 0.406 . . . . 0.0 110.02 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.8 t0 47.76 53.12 11.78 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.91 142.68 40.5 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -136.82 163.0 31.66 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.299 1.04 . . . . 0.0 109.294 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.39 -15.06 22.47 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.99 -6.08 59.35 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.239 0.472 . . . . 0.0 111.774 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -91.68 -17.71 25.06 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -70.21 135.31 48.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.777 0.431 . . . . 0.0 109.95 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.21 -148.18 19.13 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.7 t -126.09 152.84 45.33 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.875 0.47 . . . . 0.0 110.679 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -140.73 161.39 37.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.098 0.959 . . . . 0.0 111.135 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -144.26 155.31 43.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -101.76 159.17 15.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -142.32 152.25 42.76 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.119 0.418 . . . . 0.0 110.822 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -128.58 137.17 51.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.76 0.824 . . . . 0.0 111.27 -171.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -139.79 136.2 33.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.877 0.871 . . . . 0.0 109.122 168.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.36 110.38 3.0 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -123.71 34.17 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -82.46 -11.0 58.8 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.011 0.524 . . . . 0.0 112.074 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -65.67 136.52 56.4 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.26 0.482 . . . . 0.0 111.486 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.94 123.41 10.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.894 1.278 . . . . 0.0 109.117 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.457 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.9 t-105 -159.88 132.2 6.44 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 118.319 0.509 . . . . 0.0 110.994 175.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.6 m -100.65 128.48 46.68 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -82.22 78.23 8.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -147.05 152.26 38.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.214 0.606 . . . . 0.0 110.139 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.8 p -71.19 151.59 44.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -144.71 -158.44 0.89 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.206 0.603 . . . . 0.0 109.651 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.39 -50.54 16.46 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.192 0.997 . . . . 0.0 112.694 -174.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.26 -18.41 2.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -75.15 141.07 43.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -138.28 141.45 39.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.765 0.426 . . . . 0.0 110.043 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.5 t -155.1 162.78 40.92 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -76.29 157.49 32.47 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.476 0.71 . . . . 0.0 112.006 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -136.6 171.15 14.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.352 1.061 . . . . 0.0 111.14 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -113.83 124.53 52.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.75 0.82 . . . . 0.0 109.627 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.5 m -101.74 131.29 48.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.6 t -108.91 148.12 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.26 154.39 46.84 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.464 -1.309 . . . . 0.0 107.464 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -133.31 142.39 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 122.921 0.488 . . . . 0.0 110.297 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.92 146.46 35.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.87 150.54 39.16 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 111.233 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.54 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.22 65.75 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.472 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER 54.07 14.53 0.73 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 171.813 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -143.05 19.84 1.94 Allowed 'General case' 0 CA--C 1.529 0.156 0 O-C-N 121.664 -0.648 . . . . 0.0 112.317 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 167.43 174.0 36.1 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.6 p -80.72 177.33 9.09 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.272 0.629 . . . . 0.0 110.223 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.25 -5.47 27.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.476 0.311 . . . . 0.0 111.786 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.6 134.45 86.38 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.67 160.14 50.72 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.229 2.619 . . . . 0.0 111.272 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 . . . . . 0 C--O 1.252 1.19 0 CA-C-O 117.178 -1.391 . . . . 0.0 110.061 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.481 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.457 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.415 0.15 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.36 -5.4 52.14 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.614 0.366 . . . . 0.0 111.834 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.3 174.39 49.96 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.263 0.458 . . . . 0.0 112.069 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -65.26 152.0 44.79 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -71.76 168.51 17.65 Favored 'General case' 0 CA--C 1.526 0.051 0 C-N-CA 123.483 0.713 . . . . 0.0 110.885 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -63.75 143.11 58.1 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.835 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -57.84 134.13 56.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.68 8.52 86.27 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.905 -0.386 . . . . 0.0 113.091 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -57.82 132.48 53.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.325 1.062 . . . . 0.0 110.927 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.32 -9.42 77.53 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-O 119.511 -0.605 . . . . 0.0 112.06 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.11 105.54 16.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.692 0.746 . . . . 0.0 110.179 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.89 161.27 38.39 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.411 0.625 . . . . 0.0 110.552 176.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -146.12 147.03 31.12 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.368 0.667 . . . . 0.0 109.91 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.24 129.36 43.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.136 0.574 . . . . 0.0 109.747 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.75 160.04 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 122.991 0.517 . . . . 0.0 110.129 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -56.42 128.05 34.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -76.6 -26.0 54.53 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -153.96 122.99 6.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 109.937 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.0 t -112.53 127.76 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.74 128.98 56.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 169.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.4 p -133.85 146.93 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.428 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.04 155.76 39.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 110.372 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -73.12 127.28 32.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.62 1.51 57.64 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.647 -1.085 . . . . 0.0 114.903 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.43 179.55 6.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.418 1.609 . . . . 0.0 111.454 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -102.58 167.45 9.91 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.34 148.94 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 123.972 0.909 . . . . 0.0 110.664 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -101.85 142.9 32.45 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.612 0.765 . . . . 0.0 109.762 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.31 111.78 15.42 Favored Pre-proline 0 C--N 1.338 0.092 0 C-N-CA 122.945 0.498 . . . . 0.0 110.731 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.21 135.82 19.18 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.034 2.489 . . . . 0.0 109.961 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.468 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -148.39 147.26 29.01 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.973 0.509 . . . . 0.0 109.918 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.8 t -148.19 155.85 41.88 Favored 'General case' 0 N--CA 1.46 0.043 0 C-N-CA 123.683 0.793 . . . . 0.0 110.244 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -151.5 170.15 20.32 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 t -147.77 153.98 39.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.926 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -152.63 160.6 30.93 Favored Pre-proline 0 CA--C 1.53 0.182 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -174.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.61 151.77 52.66 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.409 2.74 . . . . 0.0 111.751 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.24 36.07 0.87 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.141 0.576 . . . . 0.0 112.448 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -130.75 157.04 43.9 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.82 4.51 82.32 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.119 0.39 . . . . 0.0 112.157 -177.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.7 p-90 -152.82 175.06 13.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.729 0.764 . . . . 0.0 110.686 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -144.44 162.96 35.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.74 -23.08 64.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -76.54 -15.2 59.93 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 122.084 -0.385 . . . . 0.0 111.788 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -98.47 119.64 61.08 Favored Pre-proline 0 N--CA 1.454 -0.273 0 CA-C-O 119.286 -0.387 . . . . 0.0 111.701 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.39 152.92 44.66 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.958 2.439 . . . . 0.0 110.48 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.16 152.35 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -135.63 129.05 32.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 173.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.21 156.43 16.33 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.574 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -150.27 146.63 26.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.89 145.96 44.26 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 173.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -141.77 153.28 44.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -80.15 142.0 35.19 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.16 137.7 58.06 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.915 -0.49 . . . . 0.0 110.922 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.17 -2.33 88.26 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.966 -0.908 . . . . 0.0 114.344 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -87.0 -170.07 2.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.175 1.487 . . . . 0.0 108.112 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -126.57 110.88 22.97 Favored Pre-proline 0 C--O 1.23 0.043 0 C-N-CA 123.309 0.643 . . . . 0.0 109.847 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.23 -11.42 26.87 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 123.515 2.81 . . . . 0.0 111.615 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.52 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 15.3 m-85 -85.98 -5.72 59.17 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -135.35 -32.54 0.93 Allowed 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.64 0.654 . . . . 0.0 111.531 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -94.55 158.15 15.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.9 147.43 70.37 Favored Pre-proline 0 N--CA 1.453 -0.287 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.69 158.24 57.73 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.477 2.785 . . . . 0.0 110.21 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.5 m -79.22 -20.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.36 145.38 13.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.862 0.465 . . . . 0.0 109.854 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -159.61 156.36 27.82 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.796 0.332 . . . . 0.0 111.869 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -89.05 -4.63 58.31 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.363 0.665 . . . . 0.0 111.665 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.31 136.67 84.08 Favored Pre-proline 0 N--CA 1.453 -0.295 0 O-C-N 122.047 -0.408 . . . . 0.0 110.686 -178.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.6 -23.39 11.29 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.174 2.583 . . . . 0.0 111.694 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -100.7 -27.23 13.48 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 116.277 1.955 . . . . 0.0 116.277 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -77.74 133.97 38.17 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -82.1 176.41 9.54 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.088 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.33 161.66 40.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 123.009 0.523 . . . . 0.0 112.208 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -56.33 142.28 38.53 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 122.787 0.435 . . . . 0.0 111.413 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.17 62.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.662 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.33 -8.46 59.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.909 0.322 . . . . 0.0 110.928 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.1 p -122.53 5.75 9.55 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.51 119.77 9.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -175.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.27 -14.1 5.4 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.877 0.751 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.4 mtm105 -90.05 -29.31 18.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 118.615 1.207 . . . . 0.0 111.367 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.52 127.79 53.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -147.1 142.41 27.36 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.96 154.06 39.49 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.578 0.751 . . . . 0.0 109.643 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -132.74 171.81 13.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.122 0.969 . . . . 0.0 110.445 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -178.33 53.75 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 121.37 0.428 . . . . 0.0 112.751 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -88.82 132.79 34.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.57 -39.32 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 110.993 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.97 -4.14 57.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.709 0.404 . . . . 0.0 110.87 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.0 t -102.17 10.8 39.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.305 0.642 . . . . 0.0 111.185 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 56.38 33.84 23.11 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.218 0.607 . . . . 0.0 112.431 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -78.74 128.92 34.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.709 175.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.468 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -113.9 14.84 18.61 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.17 0.588 . . . . 0.0 110.921 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -53.2 150.22 6.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.306 0.642 . . . . 0.0 111.027 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp -135.14 150.27 50.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 83' ' ' LEU . 17.0 t -125.62 134.49 51.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.949 0.5 . . . . 0.0 109.693 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.14 136.95 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 172.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -128.15 148.49 50.6 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.8 t0 48.55 53.31 12.33 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.82 143.71 36.03 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -138.94 162.78 34.01 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 124.311 1.044 . . . . 0.0 109.298 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.88 -15.71 33.66 Favored 'General case' 0 C--N 1.334 -0.079 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -173.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -83.39 -4.82 58.84 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.228 0.467 . . . . 0.0 111.911 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -91.83 -19.26 22.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.393 0.542 . . . . 0.0 109.585 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -67.36 137.03 55.68 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.27 -151.08 23.19 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -124.57 153.13 42.61 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.101 0.451 . . . . 0.0 110.955 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -140.51 161.03 38.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.253 1.021 . . . . 0.0 111.692 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -144.66 157.41 44.21 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -105.06 156.02 18.45 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -132.01 144.05 50.51 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 121.222 0.534 . . . . 0.0 111.223 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -119.06 130.11 55.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.779 1.232 . . . . 0.0 109.57 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -139.41 130.72 26.8 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 169.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.81 112.7 3.7 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.15 -124.77 36.9 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -173.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.5 m -83.98 -7.19 59.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.6 tpp -68.53 137.07 54.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.377 0.535 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -146.71 126.41 13.41 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 124.811 1.244 . . . . 0.0 109.828 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.404 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 63.2 t-105 -161.62 155.2 21.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.8 p -138.46 132.87 31.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 123.29 0.636 . . . . 0.0 109.325 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -83.08 78.33 9.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -145.05 163.13 35.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p -75.3 157.69 33.98 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.36 -164.37 1.7 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.286 1.435 . . . . 0.0 109.684 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.99 -48.58 8.73 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.685 1.194 . . . . 0.0 113.064 -176.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.93 -15.83 2.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -76.43 139.93 41.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -135.71 141.39 44.91 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.41 0.684 . . . . 0.0 110.439 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -155.43 163.86 39.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -80.22 155.85 27.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.859 0.864 . . . . 0.0 111.583 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -137.18 173.7 11.4 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.43 1.092 . . . . 0.0 111.333 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.15 124.63 51.97 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.009 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m -102.63 131.62 49.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.3 148.42 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.0 155.38 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -176.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.07 142.87 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.201 0.6 . . . . 0.0 110.281 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.5 t -141.18 146.9 37.54 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.322 0.649 . . . . 0.0 112.397 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.81 150.31 37.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 121.864 -0.523 . . . . 0.0 111.058 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.54 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.88 -23.6 67.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.71 0.404 . . . . 0.0 109.93 173.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER 54.43 13.78 0.7 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 172.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.52 174.76 12.57 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 121.521 -0.737 . . . . 0.0 111.073 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -174.73 -179.59 45.41 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.1 p -69.51 165.08 21.75 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.101 0.56 . . . . 0.0 111.014 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.59 1.27 17.31 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.195 0.598 . . . . 0.0 112.093 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.489 HG13 ' H ' ' A' ' 145' ' ' ARG . 60.2 t -64.73 135.86 96.55 Favored Pre-proline 0 CA--C 1.532 0.262 0 C-N-CA 123.252 0.621 . . . . 0.0 109.684 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.9 -21.49 43.85 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.554 2.836 . . . . 0.0 112.446 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.489 ' H ' HG13 ' A' ' 143' ' ' VAL . 88.8 mtm-85 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.991 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.52 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.404 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HG2' ' H ' ' A' ' 3' ' ' GLY . 56.7 ttm . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -71.73 -1.71 14.86 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.555 0.742 . . . . 0.0 112.691 -177.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.458 ' H ' ' HG2' ' A' ' 1' ' ' MET . . . 74.37 -170.46 53.54 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -157.22 156.75 33.09 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -74.09 170.28 15.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.644 0.777 . . . . 0.0 110.68 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.74 140.12 58.83 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.1 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.27 133.08 54.79 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.8 84.27 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.916 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.85 129.92 39.15 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.419 1.109 . . . . 0.0 112.723 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.78 -8.46 79.79 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.038 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -100.43 104.91 16.34 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 117.713 0.756 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.94 161.1 38.82 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.184 0.516 . . . . 0.0 110.574 176.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -146.9 147.12 30.46 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -130.79 130.09 43.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.407 0.683 . . . . 0.0 109.78 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -152.55 160.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.064 0.545 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.24 127.09 27.7 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.73 -27.2 60.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.81 123.02 6.51 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.098 0.475 . . . . 0.0 109.875 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.1 t -111.13 128.49 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.279 1.3 p -114.79 128.78 56.49 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 169.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -133.71 146.77 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 123.271 0.629 . . . . 0.0 110.175 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.58 155.77 40.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.707 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -72.85 128.25 34.95 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.712 -0.618 . . . . 0.0 109.991 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.93 1.92 59.66 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.49 -1.172 . . . . 0.0 114.607 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.7 178.23 7.01 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.687 1.743 . . . . 0.0 111.278 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -100.99 169.14 9.16 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -155.05 155.4 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.51 1.124 . . . . 0.0 110.768 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -108.92 143.01 38.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.811 0.844 . . . . 0.0 110.059 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.5 t -131.3 111.62 15.4 Favored Pre-proline 0 CA--C 1.527 0.084 0 C-N-CA 123.188 0.595 . . . . 0.0 110.97 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -74.82 135.72 19.81 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.709 2.273 . . . . 0.0 110.341 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.468 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.6 t -148.98 145.37 27.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.74 0.416 . . . . 0.0 110.413 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.8 m -145.26 153.47 41.34 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.157 0.983 . . . . 0.0 110.434 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -150.85 170.78 18.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.073 0.397 . . . . 0.0 111.934 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -148.7 154.86 40.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 111.151 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -152.82 160.94 30.39 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.904 0.882 . . . . 0.0 113.342 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.41 150.52 67.32 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.558 2.838 . . . . 0.0 112.034 176.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -87.99 36.12 0.76 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.612 . . . . 0.0 112.636 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.66 157.0 43.33 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.4 3.21 81.86 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.052 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.426 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.4 p-90 -150.25 175.75 11.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.954 0.877 . . . . 0.0 111.381 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.57 160.29 40.58 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -63.99 -19.86 65.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.337 0.655 . . . . 0.0 110.514 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.1 p -78.28 -16.13 58.08 Favored 'General case' 0 CA--C 1.528 0.101 0 O-C-N 122.314 -0.241 . . . . 0.0 111.488 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.33 120.54 60.78 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.338 0.655 . . . . 0.0 112.384 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.82 153.38 48.05 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.86 2.373 . . . . 0.0 110.527 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.0 152.69 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.404 ' CD2' HD21 ' A' ' 67' ' ' ASN . 27.2 m80 -136.42 131.22 33.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.494 172.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.0 156.98 15.59 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -150.23 147.81 28.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -118.06 147.26 43.42 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 122.902 0.481 . . . . 0.0 112.263 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -143.17 151.93 41.2 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 69.6 mtt-85 -79.42 141.46 36.81 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.37 134.06 56.28 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.229 -0.295 . . . . 0.0 110.947 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.76 -3.44 84.9 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.793 -1.004 . . . . 0.0 114.119 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -85.22 -176.31 6.1 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.508 1.654 . . . . 0.0 108.41 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -120.16 100.96 47.6 Favored Pre-proline 0 CA--C 1.53 0.175 0 C-N-CA 122.77 0.428 . . . . 0.0 109.96 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -70.47 -9.07 25.07 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.528 2.819 . . . . 0.0 112.303 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.478 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 19.9 m-85 -81.41 -6.58 59.07 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -153.18 -21.67 0.15 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -82.14 157.64 23.96 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.512 0.596 . . . . 0.0 110.708 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.57 144.67 70.09 Favored Pre-proline 0 N--CA 1.453 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -72.77 157.95 51.1 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.206 2.604 . . . . 0.0 109.44 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.79 -21.48 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 O-C-N 121.908 -0.495 . . . . 0.0 109.996 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.2 146.22 13.83 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t -160.0 157.06 28.11 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 122.603 0.361 . . . . 0.0 111.755 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -89.65 -2.11 58.2 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.115 0.566 . . . . 0.0 111.598 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.404 HD21 ' CD2' ' A' ' 47' ' ' HIS . 1.1 m120 -65.03 139.24 97.71 Favored Pre-proline 0 N--CA 1.455 -0.195 0 O-C-N 121.994 -0.441 . . . . 0.0 111.398 178.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.54 -23.1 8.77 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.341 2.694 . . . . 0.0 111.506 175.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -109.62 -26.7 9.76 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 -174.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -72.37 136.06 46.02 Favored 'General case' 0 C--N 1.338 0.095 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 pm0 -75.67 179.86 5.13 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.099 0.56 . . . . 0.0 110.727 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.68 160.39 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.523 0.729 . . . . 0.0 111.06 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -55.01 141.4 34.19 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.621 0.248 . . . . 0.0 111.496 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.45 62.57 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -85.46 -3.54 58.88 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.324 0.249 . . . . 0.0 111.235 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -127.75 6.18 6.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.3 120.08 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.27 -13.75 4.48 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.262 -0.743 . . . . 0.0 113.333 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -89.92 -29.42 18.54 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.52 1.16 . . . . 0.0 111.241 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -106.27 127.32 53.16 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.09 142.15 28.25 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.98 154.39 39.33 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.201 0.6 . . . . 0.0 109.534 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.413 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.7 mt -131.99 172.94 11.73 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.003 0.921 . . . . 0.0 110.459 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.63 -177.65 51.29 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 122.944 0.306 . . . . 0.0 112.608 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.16 142.28 28.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.66 -40.8 79.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 122.967 0.507 . . . . 0.0 111.049 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -81.91 -9.32 59.62 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.589 0.356 . . . . 0.0 110.925 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.3 t -95.69 8.29 43.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.234 0.614 . . . . 0.0 111.346 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 57.7 34.21 24.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.607 0.763 . . . . 0.0 112.671 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -79.68 127.72 32.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.533 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.468 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.2 p -112.82 14.65 19.9 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 122.982 0.513 . . . . 0.0 111.073 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -53.31 150.49 6.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.303 0.641 . . . . 0.0 111.054 -176.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.8 tp -135.3 150.95 50.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.278 0.631 . . . . 0.0 110.454 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.413 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.4 t -126.48 136.81 53.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.277 0.631 . . . . 0.0 109.933 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.31 138.13 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.34 147.47 50.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.919 0.488 . . . . 0.0 109.876 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.7 t0 48.33 52.18 13.9 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.74 142.68 39.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -136.95 162.36 33.5 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.418 1.087 . . . . 0.0 109.287 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.61 -14.44 20.34 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -85.89 -2.24 58.06 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.248 0.477 . . . . 0.0 111.401 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -95.85 -17.28 21.25 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.05 135.8 51.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.73 -148.94 20.54 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.72 151.97 45.93 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.039 0.535 . . . . 0.0 111.028 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 72.1 m-85 -139.7 161.22 38.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.101 0.96 . . . . 0.0 111.232 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -144.55 158.04 43.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -104.54 158.96 16.13 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.431 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.9 ttt85 -138.2 149.99 46.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 121.836 -0.54 . . . . 0.0 110.746 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tp -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.553 1.141 . . . . 0.0 110.401 -175.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -138.73 131.14 28.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 169.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -153.78 111.83 3.57 Favored 'General case' 0 C--O 1.228 -0.071 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.4 -123.53 32.94 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 108.757 -1.737 . . . . 0.0 108.757 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -85.29 -6.81 59.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.1 tpp -68.35 136.82 53.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.2 0.455 . . . . 0.0 111.413 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -147.13 124.77 11.78 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.549 1.14 . . . . 0.0 109.116 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.503 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 59.4 t-105 -160.36 137.35 9.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.431 ' HB3' HH11 ' A' ' 109' ' ' ARG . 77.3 p -113.4 131.93 55.81 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -84.22 78.36 9.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -146.37 162.66 37.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.3 p -77.97 156.21 30.33 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.403 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.7 mp0 -140.13 -164.37 1.69 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.424 1.489 . . . . 0.0 110.135 177.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.406 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.89 -49.62 8.29 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.97 1.308 . . . . 0.0 112.982 -176.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.89 -15.3 3.03 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.41 138.05 38.3 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -135.5 141.43 45.29 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 122.839 0.456 . . . . 0.0 110.052 -175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 t -154.2 161.47 41.82 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.08 155.61 30.49 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.482 0.713 . . . . 0.0 111.913 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -136.19 171.17 14.87 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.277 1.031 . . . . 0.0 111.16 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.5 tp -112.47 126.11 54.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.811 0.844 . . . . 0.0 109.739 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.5 m -103.39 131.71 50.25 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -109.25 148.13 13.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.95 154.97 46.32 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.0 t -134.96 142.87 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.042 0.537 . . . . 0.0 110.414 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.94 146.0 35.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.217 0.607 . . . . 0.0 112.581 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.07 149.68 41.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.986 -0.446 . . . . 0.0 110.997 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.539 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.18 -23.52 67.12 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.217 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER 54.93 11.99 0.55 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 117.84 2.533 . . . . 0.0 117.84 172.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.99 175.05 12.45 Favored 'General case' 0 C--O 1.232 0.168 0 O-C-N 121.735 -0.603 . . . . 0.0 111.697 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -177.09 179.85 47.78 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.4 p -72.03 168.98 16.94 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.057 0.456 . . . . 0.0 110.949 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 80.5 mt -75.15 0.17 17.22 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.926 0.49 . . . . 0.0 111.62 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.402 ' CG1' ' HD2' ' A' ' 144' ' ' PRO . 3.5 t 65.56 139.3 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 124.394 1.078 . . . . 0.0 113.396 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.402 ' HD2' ' CG1' ' A' ' 143' ' ' VAL . 65.7 Cg_endo -66.24 174.6 5.85 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.833 2.356 . . . . 0.0 110.867 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.625 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.478 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.503 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.632 0.253 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -69.63 155.53 40.36 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.765 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.08 2.34 71.77 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-O 119.687 -0.507 . . . . 0.0 112.75 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -63.76 129.9 42.01 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 118.002 0.901 . . . . 0.0 113.089 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -159.26 169.72 23.46 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.983 0.513 . . . . 0.0 110.39 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.27 140.63 58.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.093 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.57 132.73 54.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 172.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.67 11.46 85.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.786 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.83 130.72 42.08 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.431 1.115 . . . . 0.0 112.764 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.42 -9.14 78.12 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-O 119.444 -0.642 . . . . 0.0 111.975 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.09 105.27 16.89 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.919 0.859 . . . . 0.0 110.109 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.55 161.58 37.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.162 0.505 . . . . 0.0 110.423 176.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -147.24 147.11 30.1 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.852 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -130.7 130.31 43.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.438 0.695 . . . . 0.0 109.809 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -152.75 160.39 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.832 0.453 . . . . 0.0 110.842 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.47 127.97 29.92 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.52 -26.47 55.26 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -155.45 123.82 5.91 Favored 'General case' 0 C--O 1.227 -0.079 0 C-N-CA 122.713 0.405 . . . . 0.0 109.917 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.8 t -112.65 123.24 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -107.59 127.35 53.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.22 145.57 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.791 0.436 . . . . 0.0 109.988 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -71.97 156.78 38.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.909 -0.494 . . . . 0.0 110.579 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -73.34 128.58 35.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.702 -0.624 . . . . 0.0 110.0 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.38 2.66 61.79 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.719 -1.045 . . . . 0.0 114.838 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.57 179.07 6.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.515 1.657 . . . . 0.0 111.674 175.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -102.08 168.13 9.58 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 p -154.04 153.91 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.361 1.064 . . . . 0.0 110.744 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -107.04 143.27 35.39 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.687 0.795 . . . . 0.0 109.64 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.1 t -131.52 111.26 15.05 Favored Pre-proline 0 C--O 1.231 0.123 0 C-N-CA 123.251 0.621 . . . . 0.0 110.937 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.07 135.73 19.34 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.794 2.329 . . . . 0.0 110.123 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.8 t -148.66 145.54 27.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.043 0.537 . . . . 0.0 110.393 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -146.06 152.9 40.07 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.079 0.951 . . . . 0.0 110.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -150.19 170.8 18.09 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 112.189 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -148.3 154.64 40.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.079 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -154.27 159.62 31.78 Favored Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.298 1.039 . . . . 0.0 113.061 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -59.51 154.21 49.52 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.435 2.757 . . . . 0.0 111.756 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.481 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.8 13.25 3.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -91.93 151.16 20.65 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.49 5.03 88.93 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.553 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.76 174.2 12.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.302 1.051 . . . . 0.0 111.361 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -143.89 162.46 36.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.43 -21.92 62.83 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -75.56 -23.36 56.55 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.09 -0.381 . . . . 0.0 111.642 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -87.96 122.22 70.21 Favored Pre-proline 0 C--O 1.232 0.134 0 C-N-CA 122.72 0.408 . . . . 0.0 111.244 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.26 151.72 34.28 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.86 2.373 . . . . 0.0 110.746 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.98 151.13 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -136.03 130.86 34.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.413 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.2 156.16 15.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -151.56 149.23 28.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -119.29 147.81 43.87 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.119 0.568 . . . . 0.0 112.13 174.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -141.7 153.45 44.67 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -77.71 137.48 38.52 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.92 136.79 57.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 122.035 -0.416 . . . . 0.0 110.85 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 -4.87 84.25 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 118.877 -0.957 . . . . 0.0 114.163 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -86.07 178.9 7.08 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.243 1.521 . . . . 0.0 107.771 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -109.43 107.67 59.61 Favored Pre-proline 0 C--O 1.232 0.138 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.73 -10.57 26.71 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.437 2.758 . . . . 0.0 111.615 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.511 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 7.9 m-85 -87.54 -6.2 58.44 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -130.07 -35.74 1.59 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.981 0.81 . . . . 0.0 111.398 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -89.48 154.61 19.89 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.83 151.09 86.54 Favored Pre-proline 0 N--CA 1.453 -0.293 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.16 154.61 61.97 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.139 2.56 . . . . 0.0 110.321 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -76.99 -19.92 14.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.26 147.85 14.66 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -154.44 157.72 38.88 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 122.565 0.346 . . . . 0.0 110.548 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.17 -6.4 56.97 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -70.91 138.26 85.22 Favored Pre-proline 0 N--CA 1.454 -0.23 0 O-C-N 121.981 -0.449 . . . . 0.0 111.917 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -76.99 -11.86 17.85 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.889 3.059 . . . . 0.0 111.826 174.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -114.24 -36.26 4.74 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -66.36 139.36 58.02 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 122.565 0.346 . . . . 0.0 110.725 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -81.42 173.85 12.03 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.113 0.565 . . . . 0.0 110.935 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.75 165.88 21.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 123.638 0.775 . . . . 0.0 111.39 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -55.51 143.76 28.37 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.818 0.447 . . . . 0.0 111.679 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.14 61.98 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -82.7 -5.63 58.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.826 0.284 . . . . 0.0 110.91 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.414 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.9 p -125.3 5.29 7.75 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.71 120.97 11.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -174.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 -13.76 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.774 0.702 . . . . 0.0 112.974 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -91.65 -29.68 16.75 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.48 1.14 . . . . 0.0 111.281 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.414 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.27 127.59 53.35 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -147.02 142.09 27.1 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.82 154.56 39.46 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.08 0.552 . . . . 0.0 109.799 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 94' ' ' SER . 13.2 mt -131.04 170.92 13.84 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.14 0.976 . . . . 0.0 110.364 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.21 -176.64 54.0 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-O 121.189 0.327 . . . . 0.0 112.721 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -89.07 142.9 27.24 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.3 mt -68.45 -43.33 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.037 0.535 . . . . 0.0 111.089 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -81.24 -4.49 55.67 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.817 0.447 . . . . 0.0 110.864 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.4 t -99.63 8.14 44.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.489 0.715 . . . . 0.0 111.362 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 56.79 33.59 23.28 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.16 128.81 33.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.47 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.11 14.5 18.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.907 0.483 . . . . 0.0 111.083 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -53.51 151.1 6.07 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.29 0.636 . . . . 0.0 111.093 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.57 150.86 48.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.338 -173.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.418 ' HB2' HD12 ' A' ' 83' ' ' LEU . 26.3 t -126.75 136.12 52.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.79 136.99 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -127.18 148.36 50.19 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.246 0.619 . . . . 0.0 109.888 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 45.6 t0 48.39 52.4 13.62 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.74 143.96 28.98 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -137.18 161.7 35.45 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.957 0.903 . . . . 0.0 109.394 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.71 -15.62 42.09 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -84.58 -4.67 59.1 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.369 0.531 . . . . 0.0 111.936 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -90.09 -19.77 23.95 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.77 134.89 50.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.973 0.509 . . . . 0.0 109.931 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.65 -148.44 19.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 t -126.45 153.34 45.18 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 122.899 0.48 . . . . 0.0 110.795 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.75 161.31 38.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.996 0.918 . . . . 0.0 111.442 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -143.01 155.99 44.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -102.04 158.81 15.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -138.77 148.69 44.16 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 118.288 0.495 . . . . 0.0 110.832 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.13 134.29 54.21 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.721 1.209 . . . . 0.0 110.133 -175.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.62 132.52 29.3 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -153.81 110.73 3.4 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.81 -124.23 35.98 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -172.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.7 t -82.38 -11.32 58.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.062 0.545 . . . . 0.0 111.694 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.1 tpp -66.25 136.68 56.2 Favored 'General case' 0 C--N 1.339 0.134 0 O-C-N 121.802 -0.561 . . . . 0.0 111.334 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -148.06 126.24 12.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.915 1.286 . . . . 0.0 109.29 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.467 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.4 t-105 -161.69 127.73 3.7 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 111.121 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.0 m -96.75 130.41 44.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.179 0.591 . . . . 0.0 109.562 172.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.12 78.14 8.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -146.58 162.51 38.22 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.4 p -77.42 156.24 31.28 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.416 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.5 mp0 -140.88 -164.55 1.76 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.456 1.502 . . . . 0.0 110.091 177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.416 ' H ' ' HB3' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -43.93 -48.84 8.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.128 1.371 . . . . 0.0 112.797 -176.54 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.98 -16.15 2.9 Favored 'General case' 0 C--N 1.34 0.156 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.94 138.64 38.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -137.13 141.47 42.26 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.941 0.496 . . . . 0.0 110.253 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -153.54 162.42 41.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.4 156.42 29.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.436 0.694 . . . . 0.0 111.75 -175.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -137.57 171.2 14.8 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.442 1.097 . . . . 0.0 110.869 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.4 tp -113.05 123.75 51.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.5 m -100.83 130.69 46.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 170.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.94 148.29 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.44 154.91 46.82 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.91 142.96 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.903 0.481 . . . . 0.0 110.405 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.08 146.17 35.13 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.106 0.562 . . . . 0.0 112.377 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.11 149.59 40.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 110.841 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.523 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.8 -18.8 65.55 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.422 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.331 1.1 t 54.59 13.26 0.65 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 173.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -132.94 -3.71 3.18 Favored 'General case' 0 N--CA 1.461 0.114 0 O-C-N 121.716 -0.615 . . . . 0.0 111.553 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.57 -10.6 54.69 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 122.901 0.286 . . . . 0.0 112.495 -175.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.4 t -73.96 -35.58 64.52 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.709 0.754 . . . . 0.0 110.837 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.3 mt -77.57 -8.06 57.27 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.215 0.606 . . . . 0.0 111.269 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.408 HG11 ' H ' ' A' ' 145' ' ' ARG . 98.4 t -72.49 138.06 80.81 Favored Pre-proline 0 N--CA 1.453 -0.317 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 176.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -64.45 -23.03 65.24 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.003 2.469 . . . . 0.0 112.511 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.408 ' H ' HG11 ' A' ' 143' ' ' VAL . 42.9 mtm180 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 117.001 -1.476 . . . . 0.0 112.512 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.511 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.467 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -69.08 -20.89 64.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.601 0.361 . . . . 0.0 111.461 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.89 -0.99 83.68 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.79 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -69.94 151.76 45.24 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.233 1.016 . . . . 0.0 108.991 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -72.2 171.11 12.64 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.486 0.714 . . . . 0.0 110.994 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -64.95 140.64 58.89 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.974 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.24 130.93 48.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.405 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 77.92 14.35 82.43 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.868 -0.407 . . . . 0.0 113.004 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.17 129.87 41.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.405 1.103 . . . . 0.0 111.873 174.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.05 -7.9 81.08 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.428 -0.651 . . . . 0.0 112.108 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.89 105.04 15.33 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.693 0.747 . . . . 0.0 109.615 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.87 163.15 33.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.097 0.475 . . . . 0.0 110.74 177.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.12 145.1 28.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.883 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -124.32 127.26 47.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.872 0.469 . . . . 0.0 109.77 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.49 158.23 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.764 0.426 . . . . 0.0 111.757 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.71 133.21 46.96 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.845 0.858 . . . . 0.0 109.82 174.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -77.0 -31.07 56.2 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -154.17 127.48 8.49 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.981 0.513 . . . . 0.0 109.932 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.96 122.75 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -108.05 127.31 53.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 174.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.0 144.61 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.19 156.7 39.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.93 0.395 . . . . 0.0 110.563 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.11 129.87 39.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.507 -0.746 . . . . 0.0 110.326 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.72 1.74 63.49 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 118.686 -1.063 . . . . 0.0 114.824 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 178.73 6.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.491 1.646 . . . . 0.0 111.518 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -102.86 168.58 9.13 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -154.87 154.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 C-N-CA 124.274 1.029 . . . . 0.0 110.602 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -108.97 142.65 39.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.722 0.809 . . . . 0.0 109.819 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.3 t -131.26 111.88 15.5 Favored Pre-proline 0 CA--C 1.524 -0.048 0 C-N-CA 123.22 0.608 . . . . 0.0 110.578 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.28 135.48 18.63 Favored 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 122.895 2.397 . . . . 0.0 110.019 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.0 t -148.53 146.5 28.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.918 0.487 . . . . 0.0 109.815 178.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -147.17 155.85 42.48 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 123.278 0.631 . . . . 0.0 110.373 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -150.57 170.32 19.42 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t -147.9 153.74 39.48 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.35 159.39 31.99 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 124.062 0.945 . . . . 0.0 113.439 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.19 153.07 48.41 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.559 2.839 . . . . 0.0 111.797 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.464 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -86.01 18.64 2.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -101.55 156.39 17.51 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.05 3.99 88.71 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.516 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.464 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.9 p-90 -152.26 174.86 13.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.427 1.114 . . . . 0.0 111.306 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -144.7 163.25 34.55 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -60.85 -20.93 62.66 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.218 0.607 . . . . 0.0 112.432 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -75.0 -22.59 58.43 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.676 0.391 . . . . 0.0 111.429 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -92.11 122.61 64.66 Favored Pre-proline 0 N--CA 1.455 -0.2 0 C-N-CA 123.01 0.524 . . . . 0.0 112.3 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.28 152.4 39.44 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 123.091 2.527 . . . . 0.0 110.525 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.62 152.09 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.418 ' CD2' HD21 ' A' ' 67' ' ' ASN . 30.8 m80 -136.27 128.49 29.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.818 172.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.9 158.81 16.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -150.56 150.39 31.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -123.15 147.02 47.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.242 0.617 . . . . 0.0 112.089 174.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -146.82 156.1 42.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.494 0.718 . . . . 0.0 110.446 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.539 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 47.4 mtt180 -85.05 147.91 26.43 Favored 'General case' 0 CA--C 1.523 -0.092 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.42 141.04 57.92 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 122.043 -0.411 . . . . 0.0 111.077 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.78 -5.83 84.1 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 118.939 -0.923 . . . . 0.0 114.075 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 p30 -91.4 -175.8 4.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.37 1.585 . . . . 0.0 107.459 178.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -127.02 117.51 22.04 Favored Pre-proline 0 CA--C 1.53 0.19 0 O-C-N 122.195 -0.315 . . . . 0.0 110.48 176.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -72.87 -11.09 25.48 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.257 2.638 . . . . 0.0 111.783 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 7.4 m-85 -86.9 -6.22 58.85 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -130.32 -26.9 2.26 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 118.601 0.637 . . . . 0.0 111.885 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -108.29 157.86 17.99 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.05 148.37 78.38 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.55 156.7 63.18 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.187 2.592 . . . . 0.0 110.111 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.33 -20.73 14.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.03 146.64 12.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.828 0.451 . . . . 0.0 110.167 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t -160.74 156.0 24.67 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 122.564 0.345 . . . . 0.0 111.157 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -87.29 -3.13 59.03 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.235 0.614 . . . . 0.0 111.872 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.418 HD21 ' CD2' ' A' ' 47' ' ' HIS . 1.7 m120 -64.72 137.71 97.23 Favored Pre-proline 0 CA--C 1.532 0.283 0 O-C-N 122.033 -0.417 . . . . 0.0 111.8 178.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -78.93 -22.33 8.84 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.397 2.731 . . . . 0.0 111.754 173.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -106.02 -27.17 11.31 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.71 135.75 40.37 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -81.1 173.43 12.57 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.927 0.394 . . . . 0.0 110.012 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.47 163.6 37.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 122.775 0.43 . . . . 0.0 111.553 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -56.26 139.54 47.72 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-O 120.688 0.28 . . . . 0.0 111.123 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.95 -19.78 63.36 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -92.68 -4.7 52.81 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 122.257 -0.277 . . . . 0.0 111.249 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.2 p -119.34 3.75 11.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.72 119.64 9.1 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.4 -16.89 3.52 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.604 0.621 . . . . 0.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -86.41 -31.26 21.54 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 118.097 0.948 . . . . 0.0 111.242 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -105.4 127.45 52.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.95 141.23 26.26 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.95 154.26 39.43 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.392 0.677 . . . . 0.0 109.307 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.0 171.97 12.94 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.811 0.845 . . . . 0.0 110.211 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.4 -178.05 52.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 122.791 0.234 . . . . 0.0 112.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -86.83 139.68 30.44 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.37 -37.38 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.355 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -86.07 15.26 5.23 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.283 0.633 . . . . 0.0 111.563 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -131.64 14.02 4.92 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.015 0.526 . . . . 0.0 110.885 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.4 34.8 24.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.967 0.907 . . . . 0.0 113.101 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.86 126.49 30.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.035 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.459 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -111.74 13.83 21.11 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.095 0.558 . . . . 0.0 110.998 175.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.7 m -53.54 150.0 7.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.382 0.673 . . . . 0.0 110.782 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.4 tp -136.29 149.83 48.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.466 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.0 t -125.89 135.64 52.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.064 0.546 . . . . 0.0 109.748 173.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.9 mp -107.74 137.05 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 171.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -127.64 148.1 50.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.909 0.483 . . . . 0.0 109.725 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.7 t0 47.54 53.43 11.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.65 141.88 46.85 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -138.51 163.34 32.23 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.362 1.065 . . . . 0.0 109.733 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.76 -16.03 24.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -81.71 -5.32 58.02 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.814 0.445 . . . . 0.0 111.485 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -94.22 -20.04 20.19 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.005 0.522 . . . . 0.0 109.973 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -68.33 134.28 50.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.785 0.434 . . . . 0.0 110.406 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.44 -149.39 20.9 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.6 t -124.04 152.94 42.05 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.784 0.433 . . . . 0.0 110.6 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.539 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 51.6 m-85 -137.69 155.86 48.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.594 1.158 . . . . 0.0 112.786 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -142.81 155.01 44.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.252 22.6 t80 -103.78 157.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -137.16 150.61 48.05 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.666 0.386 . . . . 0.0 110.518 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -127.76 132.52 49.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.411 1.084 . . . . 0.0 110.266 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -139.47 131.96 28.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 169.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -153.78 112.37 3.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.485 0.714 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.26 -125.26 38.53 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -172.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -83.45 -8.57 59.35 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.077 0.551 . . . . 0.0 112.454 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.7 tpp -69.07 137.09 53.25 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 118.395 0.543 . . . . 0.0 110.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -146.02 128.77 16.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.131 1.372 . . . . 0.0 108.58 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.418 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 58.4 t-105 -159.55 145.21 15.86 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.181 0.446 . . . . 0.0 110.386 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -122.29 130.87 53.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.302 0.641 . . . . 0.0 109.655 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -86.53 78.71 9.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -146.12 145.36 30.48 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.586 0.355 . . . . 0.0 111.016 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.3 t -67.16 142.01 57.18 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.612 0.765 . . . . 0.0 112.002 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -139.3 -163.69 1.53 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.429 1.091 . . . . 0.0 111.24 -176.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -42.83 -48.65 5.77 Favored 'General case' 0 C--O 1.23 0.047 0 C-N-CA 125.37 1.468 . . . . 0.0 113.239 -175.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.94 -12.25 2.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 175.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -82.24 141.03 33.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -137.36 139.63 40.92 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 122.56 0.344 . . . . 0.0 110.755 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.14 163.73 39.26 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -73.72 154.71 39.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.129 0.972 . . . . 0.0 111.433 -174.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.65 167.46 21.36 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.379 1.072 . . . . 0.0 110.666 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.37 122.85 48.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.586 0.754 . . . . 0.0 109.767 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.2 m -99.21 130.42 45.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.91 148.0 13.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 172.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.85 154.95 46.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.24 142.91 40.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.806 0.442 . . . . 0.0 110.221 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.67 144.63 32.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.295 0.638 . . . . 0.0 112.324 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.67 151.45 42.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.11 -0.369 . . . . 0.0 110.771 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.512 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.15 -25.53 68.13 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.1 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER 55.54 2.92 0.07 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 175.051 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -156.86 166.07 34.4 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 121.867 -0.521 . . . . 0.0 110.518 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 69.72 14.31 69.89 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.0 p -150.62 177.7 9.8 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.59 0.756 . . . . 0.0 110.246 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 66.6 mt -73.62 0.83 11.56 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.203 0.601 . . . . 0.0 112.343 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.02 132.7 95.36 Favored Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.3 164.33 34.49 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 123.635 2.89 . . . . 0.0 111.905 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.282 -1.342 . . . . 0.0 110.62 -179.434 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.506 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.418 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.621 0.248 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -68.9 147.8 51.14 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.329 0.252 . . . . 0.0 110.469 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.14 171.56 48.38 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -69.39 154.6 41.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -74.12 168.86 18.72 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.235 0.614 . . . . 0.0 110.684 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.58 142.2 58.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.485 0.714 . . . . 0.0 109.81 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.36 133.75 55.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 9.38 86.09 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.041 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.83 132.31 52.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.334 1.067 . . . . 0.0 110.752 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.37 -8.94 78.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.97 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.63 102.72 13.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.993 0.896 . . . . 0.0 110.273 175.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -139.45 160.21 40.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.188 0.518 . . . . 0.0 110.625 177.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.21 146.8 30.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.926 -174.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -127.22 124.52 39.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.501 0.72 . . . . 0.0 109.74 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.42 158.39 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 122.931 0.493 . . . . 0.0 111.393 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.97 129.29 39.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.581 0.753 . . . . 0.0 109.804 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.5 -27.31 58.72 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.05 124.66 7.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.3 t -114.61 126.79 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.288 1.2 p -112.22 127.07 55.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 170.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -131.86 147.19 32.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.223 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.6 156.25 39.61 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.026 0.441 . . . . 0.0 110.451 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -74.01 128.15 34.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.732 -0.605 . . . . 0.0 109.941 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.83 3.43 59.31 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.672 -1.071 . . . . 0.0 114.911 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.09 -178.58 5.03 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.346 1.573 . . . . 0.0 111.673 175.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -104.53 167.61 9.63 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.75 150.22 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.524 1.13 . . . . 0.0 110.642 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -102.88 142.79 33.39 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.025 0.93 . . . . 0.0 109.882 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 51.6 t -131.59 112.96 15.29 Favored Pre-proline 0 N--CA 1.458 -0.069 0 C-N-CA 122.903 0.481 . . . . 0.0 110.522 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.02 136.46 18.41 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.892 2.395 . . . . 0.0 110.07 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.0 t -149.84 142.44 24.49 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.973 0.509 . . . . 0.0 110.221 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -144.48 155.6 43.79 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 123.704 0.802 . . . . 0.0 109.978 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -150.73 173.23 14.42 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 121.025 0.441 . . . . 0.0 111.944 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -148.99 154.53 39.49 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.989 0.516 . . . . 0.0 111.046 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -153.72 160.63 30.71 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 124.227 1.011 . . . . 0.0 113.635 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.72 153.4 56.3 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.293 2.662 . . . . 0.0 111.613 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.471 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -82.51 13.07 3.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.09 151.25 20.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.78 4.61 88.72 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.532 -0.593 . . . . 0.0 113.646 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.471 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.53 175.11 11.43 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 118.463 1.131 . . . . 0.0 111.191 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -144.91 163.2 34.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -60.8 -22.6 64.29 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t -75.03 -20.23 59.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.665 0.386 . . . . 0.0 111.539 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -92.63 121.69 65.66 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 122.786 0.434 . . . . 0.0 112.03 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.43 153.15 39.59 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 122.83 2.353 . . . . 0.0 110.267 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.92 152.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -136.36 131.62 34.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.34 157.66 15.79 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.477 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -150.53 152.24 33.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.721 0.809 . . . . 0.0 109.994 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -131.86 146.49 52.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 122.974 0.51 . . . . 0.0 112.269 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -149.41 157.42 43.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.219 -1.401 . . . . 0.0 107.219 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.541 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 54.0 mtt85 -80.53 154.06 27.75 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.04 142.85 56.32 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.26 -5.79 81.93 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.616 -177.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -78.0 168.66 19.54 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.264 1.032 . . . . 0.0 112.792 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -125.6 107.97 26.25 Favored Pre-proline 0 N--CA 1.453 -0.278 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.83 -11.4 29.38 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.223 2.615 . . . . 0.0 111.3 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.491 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 3.4 m-85 -86.82 -6.69 58.73 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -137.03 0.91 2.42 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.136 0.88 . . . . 0.0 113.294 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -152.31 165.29 35.39 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.23 151.27 69.38 Favored Pre-proline 0 N--CA 1.451 -0.395 0 C-N-CA 123.241 0.616 . . . . 0.0 111.492 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.01 159.76 49.36 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.732 2.955 . . . . 0.0 110.334 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -77.98 -21.61 13.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 147.95 13.69 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.769 0.428 . . . . 0.0 110.432 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -161.25 157.89 26.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.385 0.274 . . . . 0.0 111.221 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -88.08 -6.28 58.01 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.311 0.644 . . . . 0.0 111.689 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.12 135.25 84.95 Favored Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 118.037 0.38 . . . . 0.0 110.607 -177.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.13 -23.26 10.59 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.187 2.591 . . . . 0.0 111.338 175.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -96.97 -28.51 14.15 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -80.1 134.89 36.22 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -82.26 176.24 9.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.38 162.64 39.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 122.933 0.493 . . . . 0.0 111.782 176.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -55.96 141.24 40.32 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.074 0.464 . . . . 0.0 111.082 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.38 -20.59 62.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.597 0.359 . . . . 0.0 111.716 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -90.3 -5.26 56.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.708 0.403 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.9 p -122.73 5.57 9.45 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.16 119.17 8.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.1 -15.77 3.92 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.791 0.71 . . . . 0.0 112.862 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -87.02 -28.47 22.6 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 118.393 1.096 . . . . 0.0 111.171 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.92 127.49 55.49 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.81 142.6 27.88 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.96 154.19 39.45 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.553 0.741 . . . . 0.0 109.525 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.415 HD13 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.54 174.5 10.2 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.966 0.906 . . . . 0.0 110.042 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.45 -176.83 54.56 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 122.9 0.286 . . . . 0.0 112.871 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.22 132.57 36.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.86 -37.37 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.662 0.785 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -85.95 10.96 12.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.05 0.54 . . . . 0.0 111.494 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -125.79 15.82 8.06 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 110.824 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.01 34.23 23.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.663 0.785 . . . . 0.0 113.107 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.68 128.84 34.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.817 -0.552 . . . . 0.0 112.487 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.453 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.79 13.7 17.28 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.101 0.56 . . . . 0.0 111.27 175.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.49 149.9 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.401 0.68 . . . . 0.0 111.276 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 tp -135.33 149.72 49.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.221 -173.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.415 ' HB2' HD13 ' A' ' 83' ' ' LEU . 16.5 t -124.19 135.4 53.44 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 123.177 0.591 . . . . 0.0 109.423 173.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -109.37 135.79 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -128.87 152.96 47.94 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.748 0.819 . . . . 0.0 109.074 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.3 41.32 30.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.81 144.56 27.22 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.134 0.574 . . . . 0.0 112.372 -171.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -140.41 161.25 38.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 124.908 1.283 . . . . 0.0 109.38 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -59.86 -14.68 16.33 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -83.76 -3.59 57.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.901 0.48 . . . . 0.0 111.766 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -95.16 -19.52 20.01 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -66.5 134.23 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.06 -147.79 17.29 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 t -124.68 154.21 41.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.111 0.564 . . . . 0.0 111.046 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.541 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 39.7 m-85 -138.81 155.59 48.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.76 1.224 . . . . 0.0 112.831 -175.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -141.14 152.87 45.05 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -100.92 160.99 13.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -139.1 145.89 40.03 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.067 0.46 . . . . 0.0 111.34 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.6 tp -118.15 134.18 55.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.971 1.308 . . . . 0.0 109.879 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -140.11 131.12 26.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.96 110.76 3.37 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.23 -123.24 32.47 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -173.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.0 t -83.3 -8.94 59.36 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.011 0.524 . . . . 0.0 111.792 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.7 tpp -68.74 136.59 53.07 Favored 'General case' 0 C--N 1.339 0.109 0 O-C-N 121.682 -0.636 . . . . 0.0 111.198 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -147.91 127.27 13.09 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.966 1.306 . . . . 0.0 109.357 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.474 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.1 t-105 -161.81 133.78 5.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 118.499 0.591 . . . . 0.0 111.26 175.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.44 ' HB2' ' HE2' ' A' ' 120' ' ' LYS . 28.9 m -101.34 131.6 47.32 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.306 0.642 . . . . 0.0 109.533 170.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -83.09 78.14 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.44 ' HE2' ' HB2' ' A' ' 118' ' ' SER . 58.6 pttt -145.95 146.18 30.94 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.73 0.812 . . . . 0.0 110.113 -176.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -70.24 152.73 43.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.994 0.518 . . . . 0.0 111.365 -176.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -142.4 -156.37 0.68 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.006 0.922 . . . . 0.0 110.568 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.61 -47.48 14.7 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.614 1.566 . . . . 0.0 112.519 -176.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.17 -14.67 1.76 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -77.73 143.3 38.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -138.92 140.99 38.49 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 123.258 0.623 . . . . 0.0 110.666 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.7 t -156.89 165.03 37.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.499 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -72.73 154.93 40.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.405 1.082 . . . . 0.0 111.458 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.27 168.33 19.96 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.259 1.024 . . . . 0.0 110.401 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.7 tp -115.87 122.35 45.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.347 0.659 . . . . 0.0 110.038 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.3 m -97.59 130.39 44.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -107.0 148.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.067 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.44 155.22 45.07 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -175.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.9 t -135.66 142.95 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.896 0.478 . . . . 0.0 109.743 -176.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.93 145.89 35.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.038 0.535 . . . . 0.0 112.319 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.07 150.85 38.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.097 0.475 . . . . 0.0 110.732 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.2 -24.31 67.63 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.074 174.078 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 0.9 OUTLIER 55.08 11.54 0.53 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 172.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.16 175.48 12.11 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 121.598 -0.689 . . . . 0.0 111.401 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -176.52 176.05 47.73 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 70.3 m -67.0 157.06 34.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.827 0.451 . . . . 0.0 111.069 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.37 -3.01 34.64 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.941 0.496 . . . . 0.0 111.331 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 38.7 t -144.93 137.33 13.37 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.32 149.25 85.13 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.263 2.642 . . . . 0.0 111.375 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.6 mtm105 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.378 -178.205 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.491 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.474 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -144.55 162.86 35.54 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.836 0.854 . . . . 0.0 110.535 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.94 -177.62 47.65 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -67.18 158.73 30.56 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -154.07 170.26 21.57 Favored 'General case' 0 C--N 1.338 0.074 0 C-N-CA 123.037 0.535 . . . . 0.0 110.479 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -65.49 140.25 58.57 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.387 0.675 . . . . 0.0 109.97 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.13 134.0 55.5 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 172.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 11.64 85.16 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.902 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -55.35 131.15 45.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.674 1.237 . . . . 0.0 112.904 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.92 -9.31 77.13 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-O 119.407 -0.663 . . . . 0.0 111.799 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.44 105.1 16.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.943 0.871 . . . . 0.0 110.208 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.7 162.13 36.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.225 0.536 . . . . 0.0 110.868 176.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -147.81 147.15 29.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.058 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.92 129.89 42.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.46 0.704 . . . . 0.0 109.625 178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 p -152.79 160.23 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.124 0.57 . . . . 0.0 110.66 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.55 127.73 29.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.86 -27.25 60.18 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -154.94 123.82 6.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.5 t -112.56 129.27 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.283 1.3 p -115.13 128.57 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 169.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.47 146.89 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.027 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.301 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.86 155.81 39.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.953 -0.467 . . . . 0.0 110.708 176.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -74.05 127.44 32.9 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.681 -0.637 . . . . 0.0 109.693 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.3 1.62 55.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.025 -0.875 . . . . 0.0 114.71 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.04 179.37 6.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 119.193 1.496 . . . . 0.0 111.514 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -102.87 169.61 8.49 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -155.32 153.27 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 124.373 1.069 . . . . 0.0 110.78 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -106.15 143.4 34.33 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.85 0.86 . . . . 0.0 109.693 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.0 t -132.21 112.33 14.38 Favored Pre-proline 0 CA--C 1.529 0.159 0 C-N-CA 123.102 0.561 . . . . 0.0 110.926 177.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.16 136.26 19.85 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.834 2.356 . . . . 0.0 110.189 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.5 t -149.18 145.26 27.07 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.691 0.396 . . . . 0.0 110.236 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.2 m -145.54 152.98 40.59 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.87 0.868 . . . . 0.0 110.326 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -150.13 171.77 16.36 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.82 -0.55 . . . . 0.0 112.055 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.26 153.98 39.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.074 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -153.75 159.64 31.84 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.886 0.874 . . . . 0.0 113.238 -174.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.57 151.48 62.13 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.14 2.56 . . . . 0.0 111.286 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.472 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -81.64 13.77 2.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -92.52 149.86 21.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.28 5.15 87.53 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.666 -0.519 . . . . 0.0 113.364 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.56 173.55 13.04 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.468 1.134 . . . . 0.0 111.423 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.9 163.01 34.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -60.26 -21.41 61.84 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.2 t -76.19 -17.91 59.31 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.888 -0.507 . . . . 0.0 111.561 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -96.49 119.14 64.6 Favored Pre-proline 0 C--O 1.233 0.205 0 C-N-CA 122.892 0.477 . . . . 0.0 111.938 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.4 154.08 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.756 2.304 . . . . 0.0 110.485 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.57 152.96 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.434 ' CD2' HD21 ' A' ' 67' ' ' ASN . 22.0 m80 -136.26 127.15 27.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.449 171.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.72 158.9 15.56 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -151.67 147.85 27.23 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -118.02 148.05 42.62 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 122.906 0.482 . . . . 0.0 112.174 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -143.05 151.82 41.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -79.51 141.5 36.64 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.35 137.86 57.84 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.991 -0.443 . . . . 0.0 110.829 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.75 -3.07 87.62 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 118.946 -0.919 . . . . 0.0 114.11 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 24.4 p30 -89.43 -174.92 4.55 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 55' ' ' ASP . 3.2 mpt_? -126.93 111.33 22.02 Favored Pre-proline 0 CA--C 1.532 0.259 0 O-C-N 122.234 -0.291 . . . . 0.0 110.431 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.81 -9.25 24.53 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.523 2.815 . . . . 0.0 112.746 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.509 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 17.3 m-85 -85.25 -3.03 58.68 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -151.8 -21.79 0.19 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -92.29 154.03 18.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.26 149.19 78.89 Favored Pre-proline 0 N--CA 1.455 -0.216 0 O-C-N 122.134 -0.354 . . . . 0.0 110.202 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.62 155.87 58.44 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.448 2.765 . . . . 0.0 109.816 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -79.15 -20.62 12.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 O-C-N 121.949 -0.47 . . . . 0.0 110.14 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.11 146.57 14.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.741 0.416 . . . . 0.0 109.992 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -158.31 156.53 30.77 Favored 'General case' 0 N--CA 1.46 0.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.74 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -87.3 -3.53 59.04 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.034 0.533 . . . . 0.0 111.618 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.434 HD21 ' CD2' ' A' ' 47' ' ' HIS . 2.4 m120 -64.51 135.97 96.57 Favored Pre-proline 0 N--CA 1.456 -0.165 0 O-C-N 122.028 -0.42 . . . . 0.0 111.315 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.67 -19.5 12.76 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.117 2.544 . . . . 0.0 111.74 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -113.54 -26.34 8.34 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -174.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -72.97 139.69 46.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -79.6 173.14 12.88 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.078 0.551 . . . . 0.0 110.63 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -136.94 162.75 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 123.487 0.715 . . . . 0.0 111.135 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -53.88 141.79 26.33 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.838 0.351 . . . . 0.0 111.596 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.42 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -81.75 -10.33 59.39 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.022 0.374 . . . . 0.0 110.66 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.401 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -119.39 4.98 11.17 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.34 119.99 9.56 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -13.15 5.43 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.75 0.691 . . . . 0.0 113.368 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -91.97 -28.31 17.31 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 118.488 1.144 . . . . 0.0 111.46 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.401 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -107.3 127.58 53.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 176.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.67 141.61 27.02 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.8 154.57 39.47 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.351 0.66 . . . . 0.0 109.434 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.416 HD13 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -132.79 173.16 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.156 0.983 . . . . 0.0 110.361 -178.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -178.32 52.91 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 121.413 0.452 . . . . 0.0 113.206 175.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.27 131.85 34.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.59 -38.61 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.607 0.763 . . . . 0.0 110.951 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -83.04 -7.4 59.66 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.252 0.221 . . . . 0.0 111.008 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -98.15 10.4 40.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.297 0.639 . . . . 0.0 111.354 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 56.51 34.72 24.82 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.345 0.658 . . . . 0.0 112.248 -176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -79.23 126.8 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.157 -0.339 . . . . 0.0 111.484 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.461 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 p -112.26 14.45 20.51 Favored 'General case' 0 N--CA 1.46 0.053 0 C-N-CA 123.313 0.645 . . . . 0.0 110.578 175.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -53.41 150.37 6.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.377 0.671 . . . . 0.0 110.822 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.6 tp -135.57 150.91 49.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.225 0.61 . . . . 0.0 110.544 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.416 ' HB2' HD13 ' A' ' 83' ' ' LEU . 22.2 t -126.49 134.84 50.82 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.296 0.638 . . . . 0.0 109.594 172.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.83 136.9 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -126.34 148.17 49.61 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 48.43 49.76 17.67 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 140.0 44.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.459 0.304 . . . . 0.0 111.784 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -137.5 166.26 24.3 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.465 0.706 . . . . 0.0 110.252 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.58 -16.47 25.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -171.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -82.09 -6.31 59.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.3 0.5 . . . . 0.0 111.531 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -92.88 -17.05 24.52 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 118.336 0.516 . . . . 0.0 110.282 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.11 137.14 53.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.63 -149.72 21.62 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -124.93 152.45 44.09 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.654 0.382 . . . . 0.0 110.433 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.08 160.92 38.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.313 1.045 . . . . 0.0 111.642 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -143.64 156.86 44.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -101.65 158.52 16.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -141.04 152.08 44.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.819 -0.551 . . . . 0.0 110.615 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -130.07 135.36 48.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.849 0.859 . . . . 0.0 111.658 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -140.41 133.9 30.03 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.543 0.737 . . . . 0.0 109.274 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.69 111.26 3.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.15 41.29 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.6 m -82.55 -6.98 59.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.159 0.584 . . . . 0.0 112.493 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 40.0 tpp -68.28 135.9 52.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.5 0.591 . . . . 0.0 111.48 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -145.81 123.22 11.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.454 1.102 . . . . 0.0 109.606 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.441 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 62.4 t-105 -159.86 142.32 13.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 117.997 0.362 . . . . 0.0 110.416 173.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.3 t -119.62 130.31 55.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.778 0.831 . . . . 0.0 109.765 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -83.85 78.41 9.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -148.22 157.69 43.64 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.9 p -74.75 160.79 30.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.3 mp0 -146.07 -161.99 1.43 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.931 1.293 . . . . 0.0 110.201 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.41 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.66 -49.97 7.6 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 125.515 1.526 . . . . 0.0 112.843 -176.451 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.76 -14.61 3.16 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -79.89 139.23 37.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.4 141.25 41.69 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 122.626 0.371 . . . . 0.0 110.398 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -154.54 161.35 41.68 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.2 156.58 31.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.502 0.721 . . . . 0.0 111.844 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -136.9 172.02 13.64 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.536 1.135 . . . . 0.0 111.162 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.0 tp -114.84 122.57 46.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.853 0.861 . . . . 0.0 110.073 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.0 m -98.57 131.39 44.82 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.4 147.95 13.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 122.651 0.38 . . . . 0.0 109.994 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.22 155.11 46.08 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -134.28 143.23 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 123.006 0.522 . . . . 0.0 110.047 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.55 145.81 35.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.058 0.543 . . . . 0.0 112.426 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.72 149.89 39.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.016 -0.427 . . . . 0.0 111.045 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.53 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.31 -20.44 66.09 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER 53.69 12.24 0.38 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 173.245 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -148.02 22.02 1.1 Allowed 'General case' 0 N--CA 1.462 0.175 0 O-C-N 121.768 -0.582 . . . . 0.0 111.996 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -63.14 -9.97 31.7 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-O 120.07 -0.294 . . . . 0.0 112.966 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.1 m -77.77 -30.21 51.33 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 117.56 0.68 . . . . 0.0 111.0 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.3 mt -91.47 -6.63 52.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.235 0.614 . . . . 0.0 111.023 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.38 134.6 76.47 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.35 153.4 74.28 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 123.45 2.767 . . . . 0.0 111.015 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.678 -1.153 . . . . 0.0 110.204 -177.211 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.509 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.441 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.3 mtp . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.573 0.225 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -154.67 167.51 29.91 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.36 0.664 . . . . 0.0 110.249 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.28 163.97 52.52 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.729 -0.549 . . . . 0.0 111.729 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -66.73 142.55 57.36 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 -161.94 170.89 18.58 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.709 0.804 . . . . 0.0 110.05 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.76 141.4 58.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.305 0.642 . . . . 0.0 109.933 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.37 133.38 55.67 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 12.03 84.96 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.836 -0.424 . . . . 0.0 113.008 -177.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.8 129.2 38.47 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.288 1.044 . . . . 0.0 112.457 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.7 80.53 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.132 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -101.63 104.13 14.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 117.776 0.788 . . . . 0.0 110.188 175.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.25 162.08 36.34 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.515 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -147.27 146.76 29.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.386 0.675 . . . . 0.0 109.954 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -130.15 131.7 45.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.94 0.496 . . . . 0.0 109.734 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.77 160.2 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.936 0.494 . . . . 0.0 110.572 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -54.87 127.56 29.16 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.65 -28.0 60.67 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -173.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.4 123.69 7.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.0 t -111.89 128.99 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.298 1.1 p -115.35 129.27 56.55 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.83 147.6 30.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.507 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.29 154.91 40.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.002 0.43 . . . . 0.0 110.549 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -72.03 127.41 32.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.707 -0.621 . . . . 0.0 110.196 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.81 1.71 58.61 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.799 -1.0 . . . . 0.0 115.082 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.69 179.09 6.37 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.424 1.612 . . . . 0.0 111.777 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.1 p -101.22 168.64 9.43 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.93 155.34 5.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 124.56 1.144 . . . . 0.0 110.565 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -108.59 142.89 38.38 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.994 0.918 . . . . 0.0 109.703 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.3 t -131.7 112.17 14.99 Favored Pre-proline 0 C--O 1.231 0.124 0 C-N-CA 122.994 0.518 . . . . 0.0 111.04 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.37 136.42 19.65 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.59 2.193 . . . . 0.0 110.256 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -149.05 148.03 29.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.158 0.583 . . . . 0.0 110.184 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -148.11 155.53 41.55 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 123.595 0.758 . . . . 0.0 110.415 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -151.81 169.14 22.97 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -146.64 153.06 39.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -153.86 160.11 31.3 Favored Pre-proline 0 C--O 1.233 0.214 0 C-N-CA 124.078 0.951 . . . . 0.0 113.477 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -58.72 152.43 56.6 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.294 2.663 . . . . 0.0 111.486 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.17 13.68 3.32 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -92.81 149.87 21.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.88 5.3 88.03 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.399 -0.667 . . . . 0.0 113.284 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.94 174.33 12.37 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 118.313 1.056 . . . . 0.0 110.651 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -146.03 164.48 31.98 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.4 -23.42 62.59 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -76.21 -14.93 60.13 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.13 119.23 62.44 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 122.985 0.514 . . . . 0.0 111.653 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.63 152.03 37.46 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 122.963 2.442 . . . . 0.0 110.476 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.11 152.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.44 ' CD2' HD21 ' A' ' 67' ' ' ASN . 28.0 m80 -136.27 128.22 29.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.053 -0.404 . . . . 0.0 110.578 172.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.3 158.34 16.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -150.72 147.64 27.58 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -118.51 148.38 42.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -143.57 152.91 42.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.5 mtt-85 -79.35 141.56 36.83 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.8 138.86 58.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.81 -5.61 81.56 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 118.976 -0.902 . . . . 0.0 113.9 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -85.6 179.17 7.16 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.396 1.598 . . . . 0.0 107.815 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -111.05 109.15 57.27 Favored Pre-proline 0 C--O 1.232 0.145 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.72 -10.12 26.0 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.94 2.427 . . . . 0.0 111.339 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.487 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 21.8 m-85 -89.84 -4.74 57.43 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -129.99 -32.24 1.86 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.853 0.751 . . . . 0.0 111.473 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -96.2 156.67 16.24 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.05 150.98 83.78 Favored Pre-proline 0 N--CA 1.453 -0.3 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.73 154.71 59.13 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.314 2.676 . . . . 0.0 110.003 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.3 m -77.64 -20.87 13.93 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.067 0 O-C-N 122.14 -0.35 . . . . 0.0 110.132 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.34 147.22 14.17 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -158.96 157.0 30.49 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 120.784 0.326 . . . . 0.0 111.835 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -86.47 -3.66 59.04 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.119 0.567 . . . . 0.0 112.089 174.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.44 HD21 ' CD2' ' A' ' 47' ' ' HIS . 2.5 m120 -64.4 136.18 96.65 Favored Pre-proline 0 CA--C 1.531 0.224 0 O-C-N 122.03 -0.419 . . . . 0.0 110.841 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.48 -20.52 10.84 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.197 2.598 . . . . 0.0 111.378 176.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -113.51 -24.81 9.07 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -174.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -74.62 141.61 44.65 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 122.321 -0.237 . . . . 0.0 110.409 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -80.89 173.29 12.75 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.959 0.409 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.26 163.84 32.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 C-N-CA 123.391 0.676 . . . . 0.0 110.771 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.34 138.62 38.98 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.727 0.299 . . . . 0.0 111.296 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.83 -23.75 63.35 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.557 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -82.41 -7.31 59.64 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.507 -0.282 . . . . 0.0 111.095 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -124.32 5.98 8.41 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.73 122.25 14.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.2 -14.31 4.03 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.595 -0.559 . . . . 0.0 112.929 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -90.46 -31.48 16.78 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.445 1.122 . . . . 0.0 111.429 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -104.67 126.62 51.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.59 141.35 26.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.67 154.2 39.79 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.492 0.717 . . . . 0.0 109.584 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.9 mt -131.35 174.18 10.32 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.177 0.991 . . . . 0.0 110.131 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.33 -177.72 50.54 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-O 121.073 0.263 . . . . 0.0 112.8 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -87.19 141.1 28.9 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.26 -41.02 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.693 0.397 . . . . 0.0 110.83 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -81.2 -8.66 59.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.737 0.415 . . . . 0.0 110.843 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.5 t -94.72 7.3 46.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.308 0.643 . . . . 0.0 111.638 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 57.21 33.97 24.11 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.312 0.645 . . . . 0.0 112.452 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -79.35 126.64 31.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.182 -0.324 . . . . 0.0 111.097 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.459 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.32 14.33 22.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.834 0.454 . . . . 0.0 110.916 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.4 m -52.71 150.52 5.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.425 0.69 . . . . 0.0 111.295 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.14 151.3 49.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.532 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.425 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.0 t -127.33 135.0 49.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.165 0.586 . . . . 0.0 109.733 172.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.4 138.3 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.96 150.03 50.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.1 t0 47.59 53.21 11.47 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.14 143.77 37.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -138.26 161.47 36.8 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 124.202 1.001 . . . . 0.0 109.337 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -60.41 -14.34 18.46 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -174.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -85.42 -3.3 58.8 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.079 0.4 . . . . 0.0 111.542 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -93.85 -17.58 22.91 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -69.57 136.03 50.78 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.19 -146.99 16.43 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -129.56 153.02 48.45 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.546 0.338 . . . . 0.0 110.574 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -139.99 161.32 37.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.382 1.073 . . . . 0.0 111.287 -177.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -144.17 158.52 43.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.253 25.4 t80 -105.42 158.94 16.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -138.42 151.1 47.15 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.032 0.533 . . . . 0.0 110.756 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -128.36 132.84 48.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.48 1.112 . . . . 0.0 110.526 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -139.69 132.39 28.98 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 169.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.87 112.6 3.66 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.18 -124.79 37.01 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.2 t -82.63 -12.84 57.37 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.905 0.482 . . . . 0.0 111.929 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.5 tpp -65.38 136.23 56.26 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -145.53 127.25 15.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.008 1.323 . . . . 0.0 108.888 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.485 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 65.5 t-105 -159.41 150.16 19.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.84 0.291 . . . . 0.0 110.343 174.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 t -128.62 128.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.139 0.576 . . . . 0.0 109.615 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -84.94 78.53 9.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -173.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.22 149.24 33.55 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.799 0.44 . . . . 0.0 110.489 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -64.06 149.81 46.74 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 122.817 0.447 . . . . 0.0 111.412 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -144.55 -160.49 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.415 0.686 . . . . 0.0 109.694 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.05 -49.46 31.34 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.826 0.85 . . . . 0.0 112.593 -174.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.72 -18.18 2.78 Favored 'General case' 0 C--N 1.335 -0.054 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -75.25 143.16 43.19 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -138.83 140.98 38.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.412 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -155.75 161.99 40.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -77.44 156.6 31.0 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.756 0.822 . . . . 0.0 112.118 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -136.32 171.54 14.33 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.453 1.101 . . . . 0.0 111.065 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.2 tp -113.39 122.2 46.64 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.691 0.797 . . . . 0.0 110.006 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -99.04 130.73 45.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.45 148.38 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.529 0.331 . . . . 0.0 110.2 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.06 155.36 46.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.66 143.0 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.276 0.63 . . . . 0.0 110.091 -176.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.52 146.88 36.92 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.048 0.539 . . . . 0.0 112.452 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.76 150.87 37.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.621 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.533 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.25 -23.4 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 174.102 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.322 1.0 OUTLIER 54.35 12.41 0.51 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 172.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.53 174.9 12.42 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 121.813 -0.555 . . . . 0.0 111.245 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -177.92 -175.05 44.78 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.6 p -68.79 162.74 25.66 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.949 0.404 . . . . 0.0 111.047 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.47 1.17 14.79 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.269 0.627 . . . . 0.0 112.455 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.33 136.85 96.89 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 123.265 0.626 . . . . 0.0 109.863 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.3 8.05 1.26 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 124.19 3.26 . . . . 0.0 112.963 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 . . . . . 0 C--O 1.253 1.28 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.445 179.673 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.487 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.485 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -76.35 -7.08 54.22 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.44 -168.75 53.74 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -148.47 163.68 36.44 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -156.19 170.9 21.16 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.179 0.592 . . . . 0.0 110.366 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.15 140.19 58.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.024 0.529 . . . . 0.0 109.9 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -57.93 133.65 55.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 172.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.42 11.67 85.28 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 119.642 -0.532 . . . . 0.0 113.074 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.15 131.06 46.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.546 1.173 . . . . 0.0 112.29 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.66 -7.8 79.78 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.658 -0.523 . . . . 0.0 112.03 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.54 103.54 14.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.856 0.828 . . . . 0.0 110.156 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.0 160.08 40.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.082 0.468 . . . . 0.0 110.474 177.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.9 147.23 30.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.556 0.742 . . . . 0.0 109.948 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 -127.84 125.72 40.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.329 0.652 . . . . 0.0 109.713 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -151.97 158.77 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 122.409 0.284 . . . . 0.0 111.519 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -53.72 132.26 40.75 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.191 0.996 . . . . 0.0 110.266 176.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -75.65 -29.95 59.28 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 tp -155.98 121.38 4.85 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.06 0.391 . . . . 0.0 110.271 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.57 123.44 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -107.48 127.78 53.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -135.1 144.95 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.44 156.25 39.68 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -72.83 130.55 40.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.684 -0.635 . . . . 0.0 110.002 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.98 1.75 65.03 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.694 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.75 178.82 6.36 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.369 1.584 . . . . 0.0 111.306 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -103.14 168.34 9.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -155.01 149.37 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.339 1.056 . . . . 0.0 110.796 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -104.4 141.64 35.99 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.848 0.859 . . . . 0.0 109.753 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.2 t -130.35 111.89 16.69 Favored Pre-proline 0 N--CA 1.456 -0.162 0 C-N-CA 123.125 0.57 . . . . 0.0 110.711 177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.86 136.3 20.54 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.942 2.428 . . . . 0.0 110.082 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.467 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.4 t -149.47 143.49 25.7 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 122.727 0.411 . . . . 0.0 110.444 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -143.65 154.17 43.25 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.811 0.844 . . . . 0.0 110.404 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -151.24 171.45 17.4 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.978 -0.451 . . . . 0.0 112.164 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -148.0 154.53 40.42 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.539 0.336 . . . . 0.0 111.247 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -152.64 160.48 31.1 Favored Pre-proline 0 CA--C 1.532 0.256 0 C-N-CA 124.14 0.976 . . . . 0.0 113.37 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.25 151.1 62.16 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.517 2.811 . . . . 0.0 111.892 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.421 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -88.45 35.81 0.77 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.196 0.598 . . . . 0.0 112.562 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.82 157.16 42.98 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.17 3.44 84.94 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.421 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.8 p-90 -151.64 175.29 12.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.65 0.725 . . . . 0.0 110.989 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -145.12 164.07 32.38 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -61.41 -21.81 64.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -76.28 -16.06 59.87 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.689 0.396 . . . . 0.0 111.817 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -98.8 121.87 54.74 Favored Pre-proline 0 CA--C 1.528 0.099 0 C-N-CA 122.882 0.473 . . . . 0.0 111.645 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.95 152.19 40.73 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.05 2.5 . . . . 0.0 110.332 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.86 152.31 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -136.07 127.88 29.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.264 -0.272 . . . . 0.0 110.364 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.26 157.14 15.66 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -150.5 147.15 27.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -117.07 146.97 42.77 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -144.59 154.7 43.12 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.397 0.679 . . . . 0.0 112.097 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.523 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.6 mtm180 -87.13 144.93 26.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 177.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.03 138.44 57.86 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.162 -0.336 . . . . 0.0 111.034 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.41 -4.19 85.27 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.847 -0.974 . . . . 0.0 114.015 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -89.2 -171.12 3.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.268 1.534 . . . . 0.0 107.792 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -125.74 105.49 26.65 Favored Pre-proline 0 CA--C 1.528 0.133 0 C-N-CA 123.076 0.551 . . . . 0.0 110.165 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -73.06 -8.23 21.84 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.705 2.937 . . . . 0.0 112.16 -174.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.491 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 26.1 m-85 -87.44 -3.56 59.01 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -151.48 -22.66 0.2 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -87.26 155.98 19.84 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.536 0.607 . . . . 0.0 109.38 175.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.03 146.87 76.07 Favored Pre-proline 0 N--CA 1.453 -0.306 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.4 155.45 60.0 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.392 2.728 . . . . 0.0 109.786 176.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -78.08 -20.0 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.012 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 149.11 12.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.788 0.435 . . . . 0.0 110.092 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -158.52 158.32 33.78 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 122.761 0.424 . . . . 0.0 111.629 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -84.41 -8.44 58.97 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.183 0.593 . . . . 0.0 111.816 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -69.5 134.1 88.79 Favored Pre-proline 0 N--CA 1.452 -0.356 0 O-C-N 122.0 -0.438 . . . . 0.0 111.768 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.05 -21.51 12.12 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.315 2.677 . . . . 0.0 111.496 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -103.67 -25.44 13.15 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -77.18 138.36 39.41 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.429 0.291 . . . . 0.0 110.393 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.24 172.67 13.46 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 121.104 0.478 . . . . 0.0 110.403 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.13 163.81 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.839 0.855 . . . . 0.0 110.986 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -54.02 139.21 35.27 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.619 0.247 . . . . 0.0 111.034 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.08 63.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -90.27 -1.0 57.88 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.147 -0.346 . . . . 0.0 111.507 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.1 p -125.39 3.7 7.72 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.86 121.77 13.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.53 -11.47 9.63 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.147 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -94.54 -33.44 13.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.487 1.144 . . . . 0.0 111.197 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -103.95 125.27 50.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.22 142.78 28.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.88 154.45 39.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.238 0.615 . . . . 0.0 109.483 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 94' ' ' SER . 12.9 mt -131.84 173.14 11.48 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.876 0.87 . . . . 0.0 110.161 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.64 -177.85 53.59 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 121.329 0.405 . . . . 0.0 112.968 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.43 132.14 34.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -62.54 -38.8 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.419 0.688 . . . . 0.0 111.31 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -83.48 -5.7 59.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.604 0.361 . . . . 0.0 111.078 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.5 t -98.33 9.48 42.96 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.54 0.736 . . . . 0.0 111.167 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.49 34.68 24.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.278 0.631 . . . . 0.0 112.319 -175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -79.0 127.65 32.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.922 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.467 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.08 14.73 18.36 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 122.958 0.503 . . . . 0.0 110.975 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.2 m -52.98 150.66 5.32 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.25 0.62 . . . . 0.0 111.028 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.19 149.5 48.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.042 0.537 . . . . 0.0 110.741 -174.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.402 ' HB2' HD12 ' A' ' 83' ' ' LEU . 13.5 t -123.93 138.81 54.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.586 0.754 . . . . 0.0 109.578 174.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.5 136.61 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -129.69 148.93 51.63 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 122.749 0.42 . . . . 0.0 111.062 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.5 t0 46.89 55.53 7.78 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.57 143.87 28.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -172.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -129.09 157.49 41.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.14 1.376 . . . . 0.0 108.933 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -62.89 -13.5 34.96 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.17 -4.19 59.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 111.594 176.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -89.48 -19.48 25.03 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -69.2 135.61 50.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.96 0.504 . . . . 0.0 109.761 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.93 -151.08 23.04 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.8 t -122.01 153.29 38.76 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 122.809 0.444 . . . . 0.0 111.017 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.0 m-85 -137.63 156.32 48.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.565 1.146 . . . . 0.0 112.89 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -143.44 155.84 44.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -104.25 157.09 17.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -176.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -135.84 149.09 48.93 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.841 0.457 . . . . 0.0 111.027 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -126.29 132.7 51.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.603 1.161 . . . . 0.0 110.477 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -139.35 133.36 31.02 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -154.66 110.63 3.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.46 -122.65 30.62 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -172.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.9 t -85.88 -7.79 58.47 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.914 0.486 . . . . 0.0 111.595 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.2 tpp -67.38 135.75 53.69 Favored 'General case' 0 C--N 1.34 0.18 0 O-C-N 121.841 -0.537 . . . . 0.0 110.981 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -146.59 123.98 11.65 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.39 1.076 . . . . 0.0 109.144 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.453 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 65.3 t-105 -159.18 149.01 18.91 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 117.725 0.238 . . . . 0.0 110.556 174.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -126.13 128.52 47.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.617 0.767 . . . . 0.0 109.418 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.68 78.37 9.87 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.48 152.64 39.34 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.984 0.514 . . . . 0.0 110.121 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.2 t -66.9 146.52 54.31 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.993 0.517 . . . . 0.0 111.099 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -141.71 -159.75 1.0 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.405 0.682 . . . . 0.0 109.976 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.42 -49.94 23.92 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.925 0.89 . . . . 0.0 112.881 -174.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.99 -19.91 2.53 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -74.63 141.67 44.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -137.76 141.23 40.94 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 t -155.92 165.72 35.64 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.16 154.32 42.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -138.52 168.25 20.18 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.516 1.127 . . . . 0.0 110.54 177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.11 124.18 50.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.535 0.734 . . . . 0.0 109.72 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.2 m -100.03 132.33 45.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 170.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -110.63 148.3 14.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.46 154.24 46.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.62 142.24 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.258 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.68 145.24 34.67 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.056 0.543 . . . . 0.0 112.45 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.59 149.96 41.74 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.163 -0.335 . . . . 0.0 111.118 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.52 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.39 -22.22 66.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.708 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER 54.71 12.64 0.59 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.87 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.47 174.76 12.55 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.344 -0.847 . . . . 0.0 111.317 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -178.29 173.1 45.59 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.8 p -73.07 165.87 24.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 110.871 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.98 0.27 21.78 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.642 0.377 . . . . 0.0 111.855 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.56 136.55 96.13 Favored Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 122.95 0.5 . . . . 0.0 109.988 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.08 168.19 18.04 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.6 2.867 . . . . 0.0 111.703 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.097 -177.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.491 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.453 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -154.05 164.66 38.11 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.129 0.572 . . . . 0.0 110.179 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.87 -175.68 47.2 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 60.56 166.66 0.08 Allowed 'General case' 0 C--O 1.234 0.274 0 N-CA-C 116.377 1.992 . . . . 0.0 116.377 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -153.61 171.2 19.15 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 123.236 0.614 . . . . 0.0 110.182 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -65.45 142.66 58.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.124 0.57 . . . . 0.0 109.684 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -58.61 133.03 55.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.32 8.68 87.04 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.768 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -57.89 131.73 51.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.712 1.256 . . . . 0.0 111.283 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 -8.04 80.73 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.024 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -101.65 105.01 15.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.886 0.843 . . . . 0.0 110.53 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.23 160.34 40.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.218 0.532 . . . . 0.0 110.697 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -147.69 144.63 28.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.532 -174.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -123.59 125.8 45.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.058 0.543 . . . . 0.0 109.602 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.68 158.77 3.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 122.915 0.486 . . . . 0.0 111.727 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -56.87 130.23 44.88 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.768 0.827 . . . . 0.0 109.613 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.65 -26.51 54.94 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.54 126.02 7.45 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 t -117.08 127.19 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -112.23 129.11 56.38 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 170.009 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -132.92 147.21 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.483 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.0 155.81 39.46 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.085 0.469 . . . . 0.0 110.152 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -72.59 127.07 31.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.912 -0.492 . . . . 0.0 109.964 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.82 3.12 59.43 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.6 -1.111 . . . . 0.0 115.128 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.59 -177.69 4.59 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.573 1.686 . . . . 0.0 111.525 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -105.89 167.96 9.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.1 p -153.9 156.38 5.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 124.76 1.224 . . . . 0.0 110.711 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -110.55 142.58 42.16 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.815 0.846 . . . . 0.0 109.644 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.2 t -132.24 113.17 14.52 Favored Pre-proline 0 CA--C 1.527 0.066 0 C-N-CA 123.104 0.562 . . . . 0.0 110.848 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.73 136.43 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.663 2.242 . . . . 0.0 110.22 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.1 t -149.18 146.91 27.88 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.596 0.358 . . . . 0.0 110.154 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -146.96 155.94 42.67 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 123.442 0.697 . . . . 0.0 110.317 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -151.63 170.39 19.8 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.34 154.74 40.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.877 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -151.83 161.47 29.43 Favored Pre-proline 0 N--CA 1.454 -0.24 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.23 151.81 64.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.38 2.72 . . . . 0.0 111.781 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.424 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.21 35.9 0.87 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.189 0.596 . . . . 0.0 112.276 -176.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.79 155.79 45.39 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.86 3.93 79.53 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.942 -0.365 . . . . 0.0 112.244 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.424 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.7 p-90 -152.06 175.52 12.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.626 0.713 . . . . 0.0 111.221 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -143.63 161.74 37.73 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.12 -21.89 64.15 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -75.18 -23.16 57.68 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.978 -0.451 . . . . 0.0 111.669 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.07 120.39 69.89 Favored Pre-proline 0 C--N 1.339 0.129 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.625 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.44 153.9 45.06 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.371 2.047 . . . . 0.0 110.285 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.94 153.1 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -136.09 132.91 36.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.161 -0.337 . . . . 0.0 110.402 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 156.46 15.58 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -151.39 149.21 29.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -118.74 148.12 43.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.007 0.523 . . . . 0.0 112.374 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -146.48 154.67 41.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.723 0.809 . . . . 0.0 112.153 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 46.6 mtt180 -85.39 146.09 27.16 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.92 137.89 57.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.053 -0.404 . . . . 0.0 111.081 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.43 -2.62 86.5 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-O 118.966 -0.908 . . . . 0.0 114.45 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -87.12 -169.55 2.67 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.25 1.525 . . . . 0.0 108.632 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -125.98 101.45 29.15 Favored Pre-proline 0 CA--C 1.529 0.171 0 C-N-CA 122.961 0.504 . . . . 0.0 110.359 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.39 -8.07 22.01 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.691 2.927 . . . . 0.0 112.357 -174.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.495 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 10.7 m-85 -85.26 -3.39 58.81 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -176.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -152.59 -23.74 0.17 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.682 0.674 . . . . 0.0 112.811 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -82.44 156.37 24.15 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.49 0.586 . . . . 0.0 109.966 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.88 144.88 69.14 Favored Pre-proline 0 N--CA 1.452 -0.339 0 O-C-N 122.091 -0.381 . . . . 0.0 109.985 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.28 154.33 65.78 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 123.185 2.59 . . . . 0.0 109.603 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -76.69 -20.41 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.73 147.48 13.61 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.009 0.524 . . . . 0.0 110.166 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -159.42 157.08 29.54 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -88.44 -1.12 57.87 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.164 0.586 . . . . 0.0 111.643 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -64.37 137.52 97.15 Favored Pre-proline 0 CA--C 1.531 0.243 0 O-C-N 122.064 -0.398 . . . . 0.0 111.389 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -78.4 -20.75 10.81 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.019 2.479 . . . . 0.0 111.504 174.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -113.74 -26.06 8.39 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 -174.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -74.8 138.82 42.86 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.959 0.345 . . . . 0.0 110.126 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -79.91 174.56 11.46 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.946 0.403 . . . . 0.0 110.222 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.2 164.3 33.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.468 0.707 . . . . 0.0 111.043 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -54.33 138.57 39.03 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.569 0.224 . . . . 0.0 110.715 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.4 -20.56 63.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -91.98 -5.79 52.4 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.038 -0.414 . . . . 0.0 111.402 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 p -117.43 3.52 12.5 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.037 0.935 . . . . 0.0 113.521 175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.44 120.73 11.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -15.21 3.91 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.724 0.678 . . . . 0.0 112.993 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -88.48 -31.12 18.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.352 1.076 . . . . 0.0 111.214 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -107.25 126.86 52.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.66 140.7 26.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.78 154.59 39.49 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD12 ' HB2' ' A' ' 94' ' ' SER . 12.6 mt -131.36 170.9 14.01 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.017 0.927 . . . . 0.0 110.041 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.65 -177.66 53.72 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 123.018 0.342 . . . . 0.0 112.935 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.71 133.14 34.31 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.68 -40.85 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.631 0.772 . . . . 0.0 111.033 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.07 -5.99 58.81 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.556 0.342 . . . . 0.0 111.248 -175.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -99.59 9.66 42.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.34 0.656 . . . . 0.0 111.154 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 56.64 34.77 25.07 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 112.445 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -77.96 127.1 31.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 174.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.39 13.64 20.28 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.925 0.49 . . . . 0.0 111.093 175.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -52.88 150.0 5.84 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.001 0.521 . . . . 0.0 110.89 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.4 tp -135.71 149.38 49.21 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.435 -173.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.412 ' HB2' HD12 ' A' ' 83' ' ' LEU . 22.8 t -124.84 133.08 53.23 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.105 0.562 . . . . 0.0 109.845 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.09 137.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -130.29 153.34 48.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.25 41.69 30.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.54 143.3 30.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -171.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -139.41 162.83 34.08 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.447 1.099 . . . . 0.0 109.397 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.69 -16.3 25.81 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -82.51 -4.1 56.98 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.093 0.406 . . . . 0.0 111.887 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -92.21 -20.35 21.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -67.07 134.08 51.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.701 0.4 . . . . 0.0 110.119 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.69 -150.75 22.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 t -122.0 151.67 40.55 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 110.809 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.535 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.2 m-85 -138.39 157.43 46.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.514 1.126 . . . . 0.0 112.634 -175.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -143.58 154.55 43.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -100.51 158.1 16.17 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -137.24 150.27 47.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.921 0.391 . . . . 0.0 110.821 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.94 132.93 51.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.277 1.031 . . . . 0.0 110.08 -175.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.81 131.98 29.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 169.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -154.45 110.96 3.28 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -124.83 37.48 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 108.976 -1.649 . . . . 0.0 108.976 -172.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -83.3 -8.76 59.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.819 0.448 . . . . 0.0 112.113 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.8 tpp -66.43 136.86 56.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.304 0.502 . . . . 0.0 111.357 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -148.26 123.98 10.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.873 1.269 . . . . 0.0 109.364 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.458 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.8 t-105 -161.45 131.73 4.99 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.393 0.542 . . . . 0.0 111.445 175.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.4 m -101.55 129.82 47.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 172.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -80.99 78.21 7.83 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -146.96 148.06 31.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.342 0.657 . . . . 0.0 110.333 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.3 p -69.49 152.98 44.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.273 0.629 . . . . 0.0 111.908 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -142.79 -154.7 0.54 Allowed 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.306 1.042 . . . . 0.0 110.195 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.18 -51.65 17.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.723 1.609 . . . . 0.0 112.587 -176.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.94 -16.72 2.86 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.845 0.458 . . . . 0.0 112.155 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -77.11 141.03 40.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.322 1.231 . . . . 0.0 114.322 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.88 140.99 38.58 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 122.92 0.488 . . . . 0.0 110.118 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -156.51 165.16 37.1 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.469 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.6 tpmt? -72.11 154.32 41.16 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.262 1.025 . . . . 0.0 111.377 -175.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -138.62 169.42 17.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.39 1.076 . . . . 0.0 110.572 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.3 tp -117.08 121.79 42.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.528 0.731 . . . . 0.0 109.922 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -97.35 129.94 44.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.93 148.13 11.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 173.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.49 155.21 45.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -133.7 143.16 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 123.166 0.587 . . . . 0.0 110.041 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -142.2 146.32 35.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.57 150.43 38.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.016 -0.427 . . . . 0.0 110.749 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.526 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -63.83 -29.35 70.55 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.638 0.375 . . . . 0.0 110.206 175.666 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 0.8 OUTLIER 53.97 9.59 0.22 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 117.985 2.587 . . . . 0.0 117.985 174.144 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -148.76 19.49 1.02 Allowed 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.758 -0.588 . . . . 0.0 112.405 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.2 -165.94 54.76 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 112.285 -0.326 . . . . 0.0 112.285 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 68.1 m -65.23 158.27 26.65 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.3 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 76.4 mt -76.54 0.92 18.22 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.259 0.624 . . . . 0.0 112.253 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 23.7 t -65.35 134.43 95.69 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 122.889 0.476 . . . . 0.0 110.645 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.49 1.58 6.06 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.814 3.01 . . . . 0.0 113.256 -177.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 CA-C-O 117.77 -1.11 . . . . 0.0 111.163 -178.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.495 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.458 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.481 ' HG2' ' H ' ' A' ' 3' ' ' GLY . 57.6 ttm . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -71.68 -4.01 24.98 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.475 0.71 . . . . 0.0 112.818 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.481 ' H ' ' HG2' ' A' ' 1' ' ' MET . . . 75.41 -174.32 52.33 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.98 156.25 38.93 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -155.36 169.02 25.19 Favored 'General case' 0 CA--C 1.524 -0.05 0 C-N-CA 123.118 0.567 . . . . 0.0 110.463 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.93 139.82 58.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.004 0.522 . . . . 0.0 109.845 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.89 133.92 55.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.44 11.02 85.73 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.898 -0.39 . . . . 0.0 113.059 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.1 130.51 42.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.491 1.145 . . . . 0.0 112.575 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.69 79.29 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.548 -0.585 . . . . 0.0 111.859 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -101.32 105.29 16.34 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.794 0.797 . . . . 0.0 110.074 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.44 160.99 38.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 110.545 176.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.28 147.19 31.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.519 0.728 . . . . 0.0 109.898 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -127.35 125.11 40.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.367 0.667 . . . . 0.0 109.563 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.34 158.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.356 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -55.2 129.17 37.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 109.94 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -74.89 -28.38 60.62 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.22 124.37 6.86 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.981 0.419 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.3 t -114.02 126.66 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.3 p -112.04 127.67 55.96 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 169.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -131.74 145.94 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.03 157.46 38.17 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.08 -0.388 . . . . 0.0 110.384 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -72.91 128.88 36.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.719 -0.613 . . . . 0.0 110.272 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.41 65.98 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.888 -0.951 . . . . 0.0 115.206 174.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.23 178.91 6.08 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.329 1.565 . . . . 0.0 111.049 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.4 p -101.79 168.72 9.26 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -154.85 154.59 6.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.503 1.121 . . . . 0.0 110.44 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -108.68 142.99 38.36 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.334 1.053 . . . . 0.0 109.952 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.4 t -133.19 112.55 13.23 Favored Pre-proline 0 N--CA 1.456 -0.138 0 C-N-CA 123.004 0.522 . . . . 0.0 110.687 177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.4 137.71 21.19 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.706 2.27 . . . . 0.0 110.115 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -150.27 143.64 25.06 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.784 0.434 . . . . 0.0 110.265 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -146.62 156.44 43.21 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.859 0.863 . . . . 0.0 110.338 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -152.03 173.01 15.41 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 t -149.1 155.35 40.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -152.03 160.73 31.06 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.85 151.87 61.61 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.549 2.833 . . . . 0.0 111.929 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -88.6 36.0 0.79 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.63 157.19 41.98 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.89 2.6 86.25 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.852 -0.416 . . . . 0.0 112.317 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -151.91 175.97 11.94 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.891 0.846 . . . . 0.0 111.144 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -145.72 164.33 32.16 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.2 -22.39 65.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.916 0.486 . . . . 0.0 111.067 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -76.46 -15.49 59.89 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.863 -0.523 . . . . 0.0 111.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -98.49 122.27 54.06 Favored Pre-proline 0 N--CA 1.455 -0.19 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.96 151.72 40.05 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 123.08 2.52 . . . . 0.0 110.771 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.15 152.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -135.98 128.16 29.92 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 122.056 -0.402 . . . . 0.0 110.994 174.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.36 154.64 17.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.83 148.38 29.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.654 0.782 . . . . 0.0 110.527 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -124.19 144.37 49.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.331 0.653 . . . . 0.0 112.734 174.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.19 161.58 39.91 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.469 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 37.6 mtm180 -88.63 152.36 21.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.46 105.79 2.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.44 -0.79 5.6 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-O 118.909 -0.94 . . . . 0.0 113.804 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . 0.326 6.0 p30 -126.13 149.22 49.11 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.474 1.637 . . . . 0.0 115.02 173.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -84.84 118.1 70.22 Favored Pre-proline 0 C--N 1.34 0.179 0 C-N-CA 122.715 0.406 . . . . 0.0 110.964 -172.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.64 -12.87 22.36 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.37 2.713 . . . . 0.0 112.55 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.513 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 13.3 m-85 -85.81 -5.76 59.2 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -151.32 -20.53 0.2 Allowed 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -94.58 157.65 15.89 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 118.81 0.732 . . . . 0.0 109.763 174.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.78 144.68 76.97 Favored Pre-proline 0 N--CA 1.45 -0.438 0 O-C-N 121.96 -0.462 . . . . 0.0 110.525 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.86 159.19 54.24 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.685 2.923 . . . . 0.0 109.973 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.39 -21.44 12.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.1 146.92 14.42 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.79 0.436 . . . . 0.0 110.579 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -162.04 156.76 22.57 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.31 177.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -87.8 -3.91 58.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.322 0.649 . . . . 0.0 111.752 174.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.07 137.14 87.08 Favored Pre-proline 0 N--CA 1.451 -0.405 0 O-C-N 122.172 -0.33 . . . . 0.0 111.011 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.68 -11.68 13.99 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.774 2.982 . . . . 0.0 111.94 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -113.9 -36.53 4.77 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -70.36 133.72 47.2 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -82.19 177.81 8.6 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.24 161.32 41.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 122.978 0.511 . . . . 0.0 112.04 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -55.21 140.18 39.7 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 122.758 0.423 . . . . 0.0 110.92 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.33 -20.61 63.87 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.407 0.283 . . . . 0.0 111.698 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -90.71 -1.29 57.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.816 0.446 . . . . 0.0 111.4 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -127.57 5.61 6.2 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 119.66 9.41 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 -17.1 2.82 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.648 0.642 . . . . 0.0 113.238 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -85.7 -30.47 23.12 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.377 1.089 . . . . 0.0 111.109 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -107.18 128.11 54.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.09 142.4 26.24 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.73 153.86 39.86 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 94' ' ' SER . 19.1 mt -129.49 -16.69 3.84 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 111.839 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.52 151.79 38.5 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -74.78 138.19 42.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.94 -39.84 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.082 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -90.36 16.83 8.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.618 0.367 . . . . 0.0 111.447 -175.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -131.02 12.7 5.19 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.858 0.463 . . . . 0.0 111.437 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 55.02 31.3 15.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -91.25 133.39 35.44 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.459 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 3.6 p -113.44 16.14 18.94 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.907 0.883 . . . . 0.0 111.989 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.7 m -52.3 147.09 8.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.092 0.557 . . . . 0.0 111.685 -175.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.8 tp -134.21 152.42 51.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.856 0.863 . . . . 0.0 110.474 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 83' ' ' LEU . 20.6 t -127.43 138.92 53.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.587 0.755 . . . . 0.0 109.788 172.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.2 137.37 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 171.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -128.78 148.64 50.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.15 53.5 11.62 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.42 142.71 42.96 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.44 162.33 33.96 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.945 0.898 . . . . 0.0 109.264 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.78 -15.95 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -84.45 -2.87 57.9 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.218 0.463 . . . . 0.0 111.407 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.09 -18.92 19.8 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -67.49 134.87 52.13 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.743 0.417 . . . . 0.0 109.985 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.0 -149.34 20.75 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.2 t -124.58 153.43 42.17 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.231 0.612 . . . . 0.0 110.827 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.469 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 52.9 m-85 -139.46 156.31 47.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.506 1.122 . . . . 0.0 113.273 -175.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -138.82 152.71 48.1 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.55 158.67 15.75 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -142.22 151.99 42.65 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.57 0.623 . . . . 0.0 110.986 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -125.17 138.1 54.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.341 1.056 . . . . 0.0 111.427 -171.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -141.04 134.54 29.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.757 0.823 . . . . 0.0 109.26 168.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -155.32 108.52 2.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.22 -123.35 33.17 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.2 m -83.66 -6.92 59.56 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.8 tpp -67.62 136.24 54.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.316 0.507 . . . . 0.0 111.175 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.27 121.26 8.8 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.818 1.247 . . . . 0.0 109.515 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.479 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.1 t-105 -160.35 131.6 5.76 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 118.104 0.411 . . . . 0.0 110.881 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -103.22 134.06 47.25 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -85.18 78.15 9.89 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -147.95 159.93 43.36 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 124.454 1.101 . . . . 0.0 109.181 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.3 p -80.59 153.83 27.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -138.06 -163.37 1.44 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.35 1.46 . . . . 0.0 110.11 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -49.73 4.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.356 1.462 . . . . 0.0 112.894 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -14.93 3.15 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -77.66 140.26 39.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.83 141.17 42.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.31 0.644 . . . . 0.0 110.663 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.18 164.94 38.13 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.446 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.1 154.18 41.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 111.28 -176.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -139.77 167.66 21.59 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.626 1.17 . . . . 0.0 110.658 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.22 122.38 46.6 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.249 0.619 . . . . 0.0 110.315 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.3 m -99.08 128.88 45.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.24 148.01 10.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 172.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.34 155.3 45.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -176.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -133.76 142.98 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.123 0.569 . . . . 0.0 110.094 -176.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.84 146.17 35.53 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.251 0.62 . . . . 0.0 112.224 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.51 150.66 38.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.55 ' H ' HD21 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.92 -19.4 65.91 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER 55.04 14.11 0.9 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.45 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -129.67 -4.59 4.68 Favored 'General case' 0 N--CA 1.458 -0.03 0 O-C-N 121.646 -0.658 . . . . 0.0 111.651 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -171.8 175.71 45.12 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.1 t -156.76 -37.77 0.08 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.876 0.47 . . . . 0.0 110.821 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 92.5 mt -83.18 5.48 22.63 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.431 0.692 . . . . 0.0 110.991 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . 0.498 HG13 ' H ' ' A' ' 145' ' ' ARG . 21.4 t -61.92 135.25 94.51 Favored Pre-proline 0 CA--C 1.529 0.173 0 C-N-CA 123.458 0.703 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.79 -21.37 28.77 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.274 2.65 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.498 ' H ' HG13 ' A' ' 143' ' ' VAL . 38.5 mtp180 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 124.626 1.17 . . . . 0.0 111.499 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.513 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.479 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 111.434 0.161 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -75.9 -23.73 55.56 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.372 0.269 . . . . 0.0 111.711 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.92 170.07 53.27 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -65.76 153.37 42.01 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -71.89 168.37 18.08 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.312 0.645 . . . . 0.0 110.863 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.33 140.16 58.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.979 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.55 132.47 53.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.56 85.62 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 119.679 -0.512 . . . . 0.0 113.112 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.22 127.46 30.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.533 1.166 . . . . 0.0 111.914 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.64 -7.06 82.61 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.42 -0.656 . . . . 0.0 111.889 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -101.92 104.03 14.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 117.766 0.783 . . . . 0.0 110.25 175.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -141.47 160.56 39.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.742 177.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.35 147.04 30.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.724 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -127.42 125.62 40.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.076 0.55 . . . . 0.0 109.921 178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.5 p -152.34 158.42 4.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 122.574 0.35 . . . . 0.0 111.19 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -53.48 131.22 37.88 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.988 0.915 . . . . 0.0 109.998 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.03 -29.9 60.93 Favored 'General case' 0 CA--C 1.523 -0.059 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -154.15 123.02 6.31 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.0 t -111.84 127.7 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.34 129.11 56.62 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 169.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -133.32 147.36 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.155 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.45 157.1 38.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.948 0.404 . . . . 0.0 110.396 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -73.92 129.43 37.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.619 -0.676 . . . . 0.0 110.089 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.44 1.02 60.8 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-O 118.755 -1.025 . . . . 0.0 114.837 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.36 179.29 6.12 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.406 1.603 . . . . 0.0 111.466 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -102.4 168.8 9.09 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.78 154.87 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.506 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -110.08 141.97 42.18 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.98 0.912 . . . . 0.0 109.873 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.8 t -131.48 112.87 15.41 Favored Pre-proline 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 110.78 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.18 135.92 19.37 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 122.98 2.453 . . . . 0.0 110.149 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.7 t -148.69 142.92 26.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.909 0.484 . . . . 0.0 110.252 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -143.53 153.4 42.55 Favored 'General case' 0 CA--C 1.524 -0.022 0 C-N-CA 123.858 0.863 . . . . 0.0 110.916 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -149.8 171.41 16.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 118.362 0.528 . . . . 0.0 112.379 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 t -148.39 153.52 38.67 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.747 0.419 . . . . 0.0 110.816 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -154.55 160.57 30.79 Favored Pre-proline 0 CA--C 1.529 0.156 0 C-N-CA 124.06 0.944 . . . . 0.0 113.302 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -59.25 153.19 54.78 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.098 2.532 . . . . 0.0 111.849 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.478 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.28 14.29 3.03 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -92.88 150.38 20.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.29 6.12 86.51 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.244 -0.753 . . . . 0.0 113.531 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.4 p-90 -148.34 175.26 11.25 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.536 1.168 . . . . 0.0 111.752 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.49 162.55 35.52 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.64 -21.43 60.46 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -75.29 -14.62 60.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.872 0.469 . . . . 0.0 111.851 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -96.59 125.55 46.66 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.81 151.87 36.44 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.293 2.662 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.46 99.18 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.404 ' CG ' HD22 ' A' ' 67' ' ' ASN . 25.7 m170 -84.09 123.28 29.88 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.557 -0.715 . . . . 0.0 110.786 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.17 157.23 18.49 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -151.7 149.93 29.65 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -118.68 147.43 43.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.884 0.474 . . . . 0.0 111.911 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.47 152.5 45.69 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -77.1 137.98 39.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.58 135.01 57.23 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.033 -0.417 . . . . 0.0 110.741 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.74 -3.42 86.87 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 118.314 -1.27 . . . . 0.0 114.137 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -84.8 -176.78 6.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.625 1.712 . . . . 0.0 107.772 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -121.8 108.44 34.95 Favored Pre-proline 0 C--N 1.339 0.116 0 C-N-CA 122.953 0.501 . . . . 0.0 109.773 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.67 -12.54 26.77 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.511 2.807 . . . . 0.0 112.324 -176.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.44 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 8.2 m-85 -83.51 -8.22 59.39 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -176.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -151.55 25.92 0.67 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.432 0.56 . . . . 0.0 111.986 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -152.26 159.81 43.46 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.55 151.36 71.55 Favored Pre-proline 0 N--CA 1.451 -0.397 0 C-N-CA 122.48 0.312 . . . . 0.0 110.862 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.48 157.56 44.85 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.301 2.667 . . . . 0.0 109.872 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.4 -20.52 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.095 0 O-C-N 121.649 -0.657 . . . . 0.0 109.872 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.18 147.51 16.28 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -153.89 157.2 38.89 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.387 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -7.12 56.08 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.393 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.404 HD22 ' CG ' ' A' ' 47' ' ' HIS . 5.3 m-80 -69.92 140.43 88.75 Favored Pre-proline 0 N--CA 1.454 -0.251 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -76.84 -20.0 13.7 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 123.381 2.721 . . . . 0.0 111.544 174.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -107.87 -24.77 11.52 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -175.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -75.55 140.77 42.92 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 120.74 0.305 . . . . 0.0 110.725 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 pm0 -76.83 177.95 7.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.46 0.704 . . . . 0.0 111.264 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.88 163.61 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 124.126 0.971 . . . . 0.0 110.829 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -54.97 144.25 23.8 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.647 0.379 . . . . 0.0 111.752 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.54 62.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -83.0 -7.13 59.7 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.081 0.4 . . . . 0.0 111.135 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.0 p -121.15 3.85 10.38 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.07 123.23 18.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -175.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.83 2.8 65.87 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.048 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -115.91 -28.37 6.69 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.245 1.023 . . . . 0.0 112.052 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.15 127.42 53.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.853 1.056 . . . . 0.0 113.853 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -146.83 142.42 27.67 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.99 154.39 39.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.313 0.645 . . . . 0.0 109.755 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.4 HD13 ' HB2' ' A' ' 94' ' ' SER . 12.3 mt -132.33 172.18 12.77 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.051 0.94 . . . . 0.0 110.109 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.55 -175.74 54.82 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 121.141 0.301 . . . . 0.0 113.198 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.5 133.5 35.87 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.59 -38.04 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.465 0.706 . . . . 0.0 110.834 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -88.5 16.94 5.8 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.805 0.442 . . . . 0.0 111.112 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -130.81 14.94 5.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.264 0.626 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 55.83 35.37 25.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.729 0.811 . . . . 0.0 113.047 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -78.55 128.48 33.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.633 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.465 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 6.0 p -114.78 14.56 17.45 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.27 0.628 . . . . 0.0 111.2 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.5 m -54.03 150.64 7.75 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.223 0.609 . . . . 0.0 110.898 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -136.01 149.8 48.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.389 0.676 . . . . 0.0 110.716 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.4 ' HB2' HD13 ' A' ' 83' ' ' LEU . 22.5 t -125.28 136.42 53.5 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.197 0.599 . . . . 0.0 109.659 173.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.3 137.55 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -128.81 148.36 50.87 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 122.866 0.466 . . . . 0.0 109.846 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.25 53.12 11.23 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.09 45.25 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -137.84 163.63 30.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.197 0.999 . . . . 0.0 109.662 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.63 -15.7 31.04 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -82.36 -6.99 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.248 0.477 . . . . 0.0 111.509 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -90.0 -19.4 24.49 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 122.663 0.385 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -69.44 133.58 47.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.155 0.582 . . . . 0.0 109.953 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -150.46 22.24 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.96 152.66 42.25 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.802 0.441 . . . . 0.0 111.079 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -141.09 162.29 35.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.274 1.03 . . . . 0.0 111.606 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -144.06 156.64 44.45 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -101.65 157.37 16.88 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -137.79 148.07 45.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 110.883 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp -121.86 134.73 54.88 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.607 1.163 . . . . 0.0 109.794 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -140.13 130.21 24.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -154.19 108.6 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.21 -123.45 33.04 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 -172.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.5 t -83.77 -11.16 57.47 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -66.15 139.85 58.16 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 122.02 -0.425 . . . . 0.0 111.33 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -151.89 128.34 10.67 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 124.343 1.057 . . . . 0.0 108.701 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -161.56 129.48 4.2 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.217 0.462 . . . . 0.0 110.873 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.6 m -99.43 126.65 45.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -79.6 78.1 6.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -144.02 152.05 40.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.761 0.824 . . . . 0.0 109.355 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.5 p -69.88 154.68 41.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -146.05 -159.36 1.0 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -46.0 -49.34 16.15 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.123 0.969 . . . . 0.0 112.827 -174.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.31 -17.13 2.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.788 0.435 . . . . 0.0 112.166 176.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -76.01 143.81 41.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -138.09 141.3 40.24 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.409 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.72 166.72 32.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -72.86 154.71 40.48 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.649 1.18 . . . . 0.0 111.714 -175.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -140.15 167.67 21.6 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 124.394 1.077 . . . . 0.0 110.635 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.7 tp -113.76 124.98 53.58 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.355 0.662 . . . . 0.0 110.293 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 65.6 m -100.96 131.43 46.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 170.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.19 148.22 13.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.575 0.35 . . . . 0.0 110.278 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.2 45.95 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.06 143.08 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.091 0.556 . . . . 0.0 110.48 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.5 t -142.42 145.34 33.7 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.95 150.99 40.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.138 -0.351 . . . . 0.0 110.709 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.538 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.75 -22.48 66.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.646 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER 54.43 12.48 0.53 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 172.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.1 172.77 14.74 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.781 -0.574 . . . . 0.0 111.331 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 175.8 176.11 43.75 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 86.3 p -158.25 171.7 19.72 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.079 0.552 . . . . 0.0 110.262 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.8 mt -75.63 -1.98 27.16 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.538 0.335 . . . . 0.0 111.429 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 62.44 130.71 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 125.033 1.333 . . . . 0.0 113.719 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.22 -25.97 49.72 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.76 2.307 . . . . 0.0 112.151 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.985 -1.483 . . . . 0.0 112.487 177.053 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.44 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.64 0.257 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -74.45 8.07 2.5 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.454 0.701 . . . . 0.0 111.96 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.84 14.51 67.3 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 62.69 163.73 0.1 Allowed 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -176.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -156.25 170.25 22.67 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.092 0.557 . . . . 0.0 110.478 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.82 140.39 58.86 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.255 0.622 . . . . 0.0 109.647 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -58.04 133.99 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 11.77 85.18 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.808 -0.44 . . . . 0.0 112.906 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.33 131.91 46.77 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.513 1.157 . . . . 0.0 112.595 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 -8.18 77.37 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 119.613 -0.548 . . . . 0.0 112.239 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.13 102.44 13.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.835 0.818 . . . . 0.0 110.532 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.25 160.6 39.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.502 0.668 . . . . 0.0 110.654 177.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -147.57 145.55 29.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.363 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -124.95 127.08 46.49 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.23 157.53 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 122.63 0.372 . . . . 0.0 111.479 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -53.4 131.58 38.12 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.821 0.848 . . . . 0.0 110.135 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.65 -30.84 61.76 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -154.45 121.99 5.78 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.023 0.439 . . . . 0.0 109.86 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 40.8 t -109.84 127.09 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -113.0 128.85 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 169.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -132.95 147.43 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.65 40.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 110.638 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -72.89 127.38 32.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.707 -0.62 . . . . 0.0 109.944 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.32 1.65 59.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.683 -1.065 . . . . 0.0 115.107 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.92 178.51 6.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.403 1.601 . . . . 0.0 111.614 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.7 p -102.08 168.53 9.32 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -175.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -154.4 156.68 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 C-N-CA 124.434 1.094 . . . . 0.0 110.911 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -110.44 143.34 40.88 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.135 0.974 . . . . 0.0 109.804 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.6 t -132.31 112.46 14.28 Favored Pre-proline 0 N--CA 1.457 -0.123 0 C-N-CA 123.259 0.624 . . . . 0.0 110.701 177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.3 135.05 18.04 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.825 2.35 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.468 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -147.98 147.59 29.81 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.889 0.475 . . . . 0.0 109.997 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 t -147.67 155.81 42.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.349 0.66 . . . . 0.0 110.654 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -151.58 169.76 21.31 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.6 t -146.93 154.2 40.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -152.66 161.02 30.33 Favored Pre-proline 0 N--CA 1.455 -0.178 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.26 151.15 61.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.571 2.848 . . . . 0.0 111.772 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.16 36.31 0.87 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -130.03 156.56 44.28 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.76 2.88 84.03 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.797 -0.446 . . . . 0.0 112.269 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.427 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -151.3 175.69 11.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 117.736 0.768 . . . . 0.0 110.734 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -145.58 163.52 34.52 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -61.5 -21.78 64.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.115 0.566 . . . . 0.0 112.089 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -76.57 -17.03 59.44 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -97.89 120.38 60.26 Favored Pre-proline 0 N--CA 1.457 -0.113 0 C-N-CA 122.529 0.332 . . . . 0.0 110.841 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.36 153.05 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.55 2.167 . . . . 0.0 110.535 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.5 152.43 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.442 ' CD2' HD21 ' A' ' 67' ' ' ASN . 26.4 m80 -136.21 130.53 33.27 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.697 0.284 . . . . 0.0 110.48 171.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 157.09 15.88 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -150.93 146.03 26.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -115.91 147.86 40.65 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.152 0.581 . . . . 0.0 111.919 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.1 150.71 43.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -76.65 137.67 39.58 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.23 135.41 57.1 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.034 -0.416 . . . . 0.0 110.294 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.16 -4.76 86.06 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 118.997 -0.89 . . . . 0.0 114.247 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -85.91 -176.7 6.1 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.467 1.634 . . . . 0.0 107.699 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -119.4 105.62 43.81 Favored Pre-proline 0 CA--C 1.529 0.153 0 C-N-CA 122.73 0.412 . . . . 0.0 109.937 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -71.16 -8.83 24.34 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.594 2.862 . . . . 0.0 112.198 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.456 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 32.1 m-85 -82.66 -6.33 59.31 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.318 0.647 . . . . 0.0 109.476 -176.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -151.5 -24.06 0.2 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -81.68 156.15 25.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.342 0.519 . . . . 0.0 110.417 175.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.22 147.23 72.41 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.64 157.35 55.99 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.55 2.833 . . . . 0.0 109.824 175.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.48 -21.2 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 CA-C-N 118.075 0.398 . . . . 0.0 110.126 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.61 145.78 14.54 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -159.14 155.92 28.11 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 122.292 0.237 . . . . 0.0 111.002 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -86.04 -3.6 58.98 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.051 0.54 . . . . 0.0 111.974 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.442 HD21 ' CD2' ' A' ' 47' ' ' HIS . 2.1 m120 -62.97 135.61 96.25 Favored Pre-proline 0 N--CA 1.455 -0.196 0 O-C-N 122.082 -0.386 . . . . 0.0 111.163 177.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -77.8 -19.73 12.41 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.349 2.699 . . . . 0.0 111.48 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -113.12 -25.13 9.07 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -75.38 139.61 42.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.105 0.411 . . . . 0.0 110.456 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -80.08 173.84 12.19 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.93 0.492 . . . . 0.0 110.439 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.81 162.95 33.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 C-N-CA 123.413 0.685 . . . . 0.0 111.441 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -54.13 140.92 30.65 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.662 0.385 . . . . 0.0 111.392 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.47 -24.35 62.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -83.01 -7.13 59.7 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 117.918 0.326 . . . . 0.0 110.762 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.6 p -123.3 4.47 9.13 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -62.56 121.49 13.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.84 -6.99 23.27 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.355 -0.692 . . . . 0.0 113.34 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.7 mtm105 -102.27 -28.02 12.51 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.556 1.178 . . . . 0.0 111.91 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.5 m-85 -105.59 127.87 53.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.25 139.33 25.72 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.69 154.39 39.68 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.598 0.759 . . . . 0.0 109.586 175.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.3 172.66 12.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.131 0.972 . . . . 0.0 110.2 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.87 52.44 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 121.09 0.272 . . . . 0.0 113.275 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.44 132.91 33.84 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.42 -40.07 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.56 0.744 . . . . 0.0 111.111 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -82.81 -4.36 57.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 122.441 0.297 . . . . 0.0 111.059 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -101.7 10.16 40.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.42 0.688 . . . . 0.0 111.308 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 56.72 33.87 23.63 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -79.0 127.64 32.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.13 -0.356 . . . . 0.0 111.447 175.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.468 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.9 p -112.25 13.84 20.47 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 122.97 0.508 . . . . 0.0 111.013 175.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.9 m -53.2 150.64 5.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.252 0.621 . . . . 0.0 110.989 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.3 tp -136.59 150.52 48.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 -173.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.431 ' HB2' HD12 ' A' ' 83' ' ' LEU . 22.6 t -126.93 135.23 50.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.071 0.548 . . . . 0.0 109.874 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.64 138.5 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -127.8 147.28 50.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 47.68 51.57 13.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.85 143.51 36.95 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.696 0.398 . . . . 0.0 112.064 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -137.51 161.15 37.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 124.725 1.21 . . . . 0.0 109.714 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.02 -14.68 17.48 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -85.63 -5.78 59.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.157 0.435 . . . . 0.0 111.74 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -90.68 -18.79 24.46 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -67.36 134.84 52.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.278 0.631 . . . . 0.0 109.922 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.08 -151.33 23.14 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.7 152.77 41.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 117.202 0.501 . . . . 0.0 111.146 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -141.28 160.29 40.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.3 1.04 . . . . 0.0 111.5 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -142.54 158.0 44.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -103.45 160.28 14.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -140.59 149.88 42.92 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.167 0.439 . . . . 0.0 110.856 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -124.99 133.62 52.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.538 1.135 . . . . 0.0 110.072 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -140.13 132.17 27.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -154.25 111.1 3.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.61 -124.01 34.64 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.8 t -83.18 -11.85 57.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.016 0.527 . . . . 0.0 111.784 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.2 tpp -64.51 136.95 57.57 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.504 -0.748 . . . . 0.0 111.428 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -147.34 125.0 11.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.909 1.284 . . . . 0.0 109.676 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.473 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 63.7 t-105 -159.41 135.93 9.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.046 0.384 . . . . 0.0 110.966 173.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -108.12 127.69 54.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.0 0.92 . . . . 0.0 109.579 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -83.1 78.33 9.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -176.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -145.33 153.42 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 122.917 0.487 . . . . 0.0 109.982 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -69.15 153.08 44.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.701 0.286 . . . . 0.0 110.896 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -143.68 -160.57 1.13 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.399 0.68 . . . . 0.0 109.421 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.2 -48.99 23.72 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.1 0.96 . . . . 0.0 113.076 -174.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.86 -16.75 2.88 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -76.01 141.8 42.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.49 141.39 39.41 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 122.922 0.489 . . . . 0.0 110.081 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.72 166.19 34.26 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -72.73 155.42 39.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.27 1.028 . . . . 0.0 111.81 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -139.38 166.72 23.82 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.367 1.067 . . . . 0.0 110.342 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -113.78 124.58 52.59 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.485 0.714 . . . . 0.0 110.346 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 64.8 m -101.18 130.75 47.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.71 148.34 11.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 122.71 0.404 . . . . 0.0 110.154 173.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.18 155.2 45.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 47.6 t -134.85 142.8 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.038 0.535 . . . . 0.0 110.394 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.52 146.79 36.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.95 151.2 38.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.03 -0.419 . . . . 0.0 110.7 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.522 ' H ' HD22 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.91 -21.75 66.87 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 173.469 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER 55.17 11.37 0.53 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 172.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.55 173.35 14.72 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.617 -0.677 . . . . 0.0 111.189 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 179.62 175.44 46.42 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.0 t 56.72 -172.08 0.08 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.143 0.977 . . . . 0.0 111.714 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 47.3 mt 57.62 12.87 1.71 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.348 1.059 . . . . 0.0 112.176 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.83 131.93 95.08 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 122.889 0.475 . . . . 0.0 110.878 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -69.04 140.81 46.36 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.986 2.457 . . . . 0.0 110.017 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.995 -1.479 . . . . 0.0 110.595 -176.031 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' G6S . . . . . 0.456 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' SIA . . . . . 0.473 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.56 130.92 48.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.12 10.8 85.23 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.068 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.46 132.86 54.99 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.572 1.186 . . . . 0.0 110.419 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.63 -8.35 79.94 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.65 -0.528 . . . . 0.0 112.04 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -101.85 106.7 17.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 117.646 0.723 . . . . 0.0 109.833 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -142.28 161.36 38.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.107 0.479 . . . . 0.0 110.658 176.123 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -146.91 145.72 29.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.599 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 12' ' ' LEU . 21.7 mp0 -128.1 131.0 49.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.76 158.23 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.024 0.529 . . . . 0.0 110.373 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -54.7 127.18 27.02 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.72 -28.17 61.57 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 tp -153.24 122.37 6.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 120.953 0.406 . . . . 0.0 109.906 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.508 HG21 HG22 ' A' ' 29' ' ' VAL . 42.7 t -111.39 127.2 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.305 1.1 p -113.89 128.04 56.23 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 169.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.92 147.88 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.28 155.82 39.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.033 0.444 . . . . 0.0 110.628 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.18 128.81 36.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.442 -0.786 . . . . 0.0 109.992 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.13 59.21 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 118.62 -1.1 . . . . 0.0 114.675 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.92 179.7 5.92 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.618 1.709 . . . . 0.0 111.426 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.0 p -102.09 169.0 9.02 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.92 148.8 12.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 C-N-CA 124.305 1.042 . . . . 0.0 110.535 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -100.92 143.76 30.69 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.654 0.782 . . . . 0.0 109.565 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.508 HG22 HG21 ' A' ' 19' ' ' VAL . 47.6 t -132.21 112.17 14.35 Favored Pre-proline 0 N--CA 1.456 -0.173 0 C-N-CA 123.147 0.579 . . . . 0.0 110.534 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.39 136.3 19.45 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.75 2.3 . . . . 0.0 110.393 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -148.78 147.5 28.87 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.747 0.419 . . . . 0.0 110.164 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -147.73 155.72 42.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.487 0.715 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -150.88 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.036 0.446 . . . . 0.0 112.176 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 t -148.67 153.55 38.43 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 122.583 0.353 . . . . 0.0 111.192 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -153.19 158.48 32.8 Favored Pre-proline 0 CA--C 1.53 0.2 0 C-N-CA 124.536 1.134 . . . . 0.0 113.167 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -64.12 155.38 65.22 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.011 2.474 . . . . 0.0 110.69 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.1 pt20 -82.29 17.41 1.69 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -94.5 152.86 18.23 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.65 2.95 89.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.181 -0.789 . . . . 0.0 114.35 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.0 p-90 -150.3 176.1 11.19 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.596 1.198 . . . . 0.0 111.368 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -144.68 161.52 38.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -60.79 -22.46 64.13 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.1 t -74.73 -22.4 58.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.086 -0.384 . . . . 0.0 111.59 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -90.47 120.76 68.95 Favored Pre-proline 0 C--O 1.232 0.153 0 C-N-CA 122.896 0.479 . . . . 0.0 111.979 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.05 152.99 41.19 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 123.088 2.525 . . . . 0.0 110.372 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.55 152.94 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -136.27 131.93 35.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.63 0.253 . . . . 0.0 110.669 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 156.99 15.93 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -150.07 146.41 26.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.59 147.75 44.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.27 0.628 . . . . 0.0 111.861 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -144.61 153.57 41.92 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.056 0.542 . . . . 0.0 110.564 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -75.19 147.39 40.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 O-C-N 121.988 -0.445 . . . . 0.0 110.34 179.736 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.9 160.35 46.19 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.652 2.902 . . . . 0.0 109.904 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -79.16 -20.6 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 O-C-N 122.083 -0.386 . . . . 0.0 110.056 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.12 145.91 13.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.841 0.456 . . . . 0.0 109.8 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.333 -0.127 0 CA-C-O 120.727 0.298 . . . . 0.0 111.637 178.125 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.46 0.047 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -55.19 140.34 39.01 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 122.791 0.437 . . . . 0.0 111.143 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -25.03 63.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.683 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -82.67 -5.72 59.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.003 0.365 . . . . 0.0 110.852 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.452 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.0 p -125.12 5.97 7.88 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.56 119.87 9.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.26 -13.38 4.72 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.49 -0.617 . . . . 0.0 113.366 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -90.67 -28.97 18.01 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.47 1.135 . . . . 0.0 111.349 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.452 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -106.88 127.42 53.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -146.46 142.3 27.98 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.76 154.41 39.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.474 0.709 . . . . 0.0 109.75 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 94' ' ' SER . 15.4 mt -132.54 172.98 11.81 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.967 0.907 . . . . 0.0 110.346 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.75 -176.79 52.45 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 116.564 -0.289 . . . . 0.0 112.583 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -88.5 141.26 28.68 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.52 -40.93 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.026 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -82.13 -6.96 59.58 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.74 0.416 . . . . 0.0 111.073 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.9 t -97.04 7.71 46.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.376 0.67 . . . . 0.0 111.462 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.91 33.27 22.94 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.242 0.617 . . . . 0.0 112.452 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.19 127.44 32.04 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.121 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.466 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -111.43 13.64 21.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.834 0.454 . . . . 0.0 111.03 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.68 149.6 5.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.31 0.644 . . . . 0.0 111.033 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.9 tp -134.75 151.1 50.72 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.568 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.493 ' HB2' HD11 ' A' ' 83' ' ' LEU . 16.5 t -125.99 136.53 53.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.406 0.682 . . . . 0.0 109.862 173.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.57 137.52 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -127.17 147.96 50.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.666 0.386 . . . . 0.0 110.156 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.78 52.49 12.69 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 142.31 42.21 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -174.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -137.88 161.71 35.91 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 124.399 1.08 . . . . 0.0 109.664 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.55 -15.21 16.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.09 -4.46 59.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.301 0.5 . . . . 0.0 111.663 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.28 -17.82 22.26 Favored 'General case' 0 N--CA 1.461 0.103 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -67.93 134.69 51.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.37 -148.94 20.3 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 t -125.47 153.49 43.45 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.778 0.431 . . . . 0.0 110.828 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -140.73 161.1 38.59 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.369 1.068 . . . . 0.0 111.56 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -144.44 156.24 44.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -104.9 160.35 15.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -140.61 150.9 44.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 118.263 0.483 . . . . 0.0 110.502 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.52 133.43 53.33 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.342 1.057 . . . . 0.0 110.321 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -139.03 131.22 28.18 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -153.62 110.99 3.48 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.82 -123.78 34.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -84.81 -7.68 59.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.717 0.407 . . . . 0.0 111.717 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.4 tpp -66.93 136.92 56.1 Favored 'General case' 0 N--CA 1.457 -0.103 0 O-C-N 121.724 -0.61 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -149.51 123.99 9.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.899 1.28 . . . . 0.0 109.372 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -161.93 128.6 3.77 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.392 0.542 . . . . 0.0 111.433 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.1 m -95.44 129.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -82.06 78.11 8.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -148.4 166.01 29.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.3 p -76.85 158.19 30.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.436 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.413 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.6 mp0 -142.16 -163.94 1.7 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.228 1.411 . . . . 0.0 109.707 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -44.74 -49.48 10.56 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 124.939 1.296 . . . . 0.0 112.862 -176.717 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.68 -15.9 3.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.87 139.12 39.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -136.55 141.25 43.35 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.094 0.558 . . . . 0.0 110.266 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -153.24 163.56 39.68 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 128' ' ' LYS . 21.5 ttmm -75.97 157.76 32.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.579 0.752 . . . . 0.0 111.811 -175.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -138.2 169.98 16.83 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.473 1.109 . . . . 0.0 110.963 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.5 tp -114.37 124.54 52.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.042 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.2 m -102.81 129.59 49.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.14 148.24 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 122.6 0.36 . . . . 0.0 110.277 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.82 155.09 45.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -176.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -134.91 143.05 38.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 C-N-CA 123.021 0.529 . . . . 0.0 110.371 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.56 147.42 37.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.69 151.3 37.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.08 -0.387 . . . . 0.0 111.046 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.591 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.17 -20.41 66.43 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.164 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.325 1.2 t . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 117.4 2.37 . . . . 0.0 117.4 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.01 133.27 54.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 172.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.08 12.07 84.98 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.007 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.93 130.7 42.39 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.548 1.174 . . . . 0.0 112.612 175.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.26 -8.29 80.07 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.636 -0.536 . . . . 0.0 112.289 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.34 107.29 18.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.558 0.679 . . . . 0.0 109.618 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -142.8 160.88 39.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.23 0.538 . . . . 0.0 110.557 175.703 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -146.49 147.18 30.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.224 0.609 . . . . 0.0 110.144 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -131.4 128.85 40.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.332 0.653 . . . . 0.0 109.247 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 159.59 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.128 0.571 . . . . 0.0 110.43 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -55.62 129.18 38.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -78.1 -25.68 47.67 Favored 'General case' 0 C--O 1.231 0.079 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -172.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -153.42 123.38 6.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.505 HG21 HG22 ' A' ' 29' ' ' VAL . 40.2 t -113.3 128.89 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -114.43 129.72 56.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 169.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.17 148.2 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.498 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.09 155.95 39.73 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.892 -0.505 . . . . 0.0 110.308 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.88 128.07 34.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.931 -0.481 . . . . 0.0 110.147 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.76 2.34 58.53 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.847 -0.974 . . . . 0.0 114.842 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.41 -179.4 5.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.43 1.615 . . . . 0.0 111.693 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.4 p -103.37 168.21 9.31 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.73 148.81 12.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 124.615 1.166 . . . . 0.0 110.643 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -101.56 142.95 32.15 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.607 0.763 . . . . 0.0 109.984 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.505 HG22 HG21 ' A' ' 19' ' ' VAL . 47.5 t -131.61 111.66 15.01 Favored Pre-proline 0 C--O 1.232 0.159 0 C-N-CA 123.013 0.525 . . . . 0.0 110.696 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.34 137.12 20.58 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.853 2.369 . . . . 0.0 110.061 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -149.39 144.07 26.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.187 0.595 . . . . 0.0 110.169 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.9 m -144.84 153.63 41.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.832 0.853 . . . . 0.0 110.346 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -151.39 171.77 16.98 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 121.881 -0.512 . . . . 0.0 111.61 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -148.13 155.03 40.96 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -152.23 161.48 29.25 Favored Pre-proline 0 N--CA 1.454 -0.256 0 C-N-CA 124.222 1.009 . . . . 0.0 113.7 -175.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.78 151.73 62.03 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.232 2.621 . . . . 0.0 111.972 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -90.26 35.99 0.87 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.533 0.733 . . . . 0.0 112.558 -176.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.43 156.83 44.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.61 4.06 83.3 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.934 -0.37 . . . . 0.0 112.373 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -152.12 175.74 12.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.689 0.745 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -144.89 164.02 32.35 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -63.28 -20.3 65.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.886 0.474 . . . . 0.0 110.705 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -77.55 -15.98 58.93 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.64 120.74 56.73 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.497 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.51 152.82 43.87 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.916 2.411 . . . . 0.0 110.448 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -75.38 153.04 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -136.18 130.18 32.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 122.081 -0.387 . . . . 0.0 110.486 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.45 157.09 15.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -149.95 151.5 33.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -127.19 148.29 50.19 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.459 0.703 . . . . 0.0 111.661 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -149.3 157.44 43.34 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.444 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 56.7 mtt-85 -74.88 152.11 38.91 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.119 178.751 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.94 156.76 55.97 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.808 2.339 . . . . 0.0 109.461 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -77.62 -21.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.733 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.82 145.04 13.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.929 0.491 . . . . 0.0 110.033 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.461 0.097 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 177.945 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.234 0.271 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.49 141.77 29.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.898 0.38 . . . . 0.0 111.418 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -24.12 62.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.373 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -84.17 -4.38 58.77 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.377 -0.202 . . . . 0.0 111.185 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.442 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.4 p -125.98 6.01 7.26 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 178.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.08 119.59 8.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.79 -14.2 4.7 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.134 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -89.39 -27.04 20.7 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.446 1.123 . . . . 0.0 111.616 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.442 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -110.3 128.34 55.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -147.29 142.85 27.61 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.96 154.4 39.35 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.763 0.825 . . . . 0.0 109.894 175.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -132.6 176.14 8.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.241 1.016 . . . . 0.0 110.536 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.19 -178.68 51.19 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 121.156 0.309 . . . . 0.0 112.876 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.08 132.09 34.43 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.86 -39.14 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.603 0.761 . . . . 0.0 111.165 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -84.15 -6.52 59.41 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.396 0.278 . . . . 0.0 110.855 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 t -97.57 10.65 39.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.62 34.35 24.32 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.138 0.575 . . . . 0.0 112.327 -175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -79.68 126.99 31.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.865 -0.522 . . . . 0.0 111.955 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.479 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.03 14.73 20.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.058 0.543 . . . . 0.0 110.819 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 m -53.96 151.09 7.06 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.188 0.595 . . . . 0.0 111.017 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.23 151.15 49.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.426 -174.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.9 t -126.07 134.01 51.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.275 0.63 . . . . 0.0 109.584 173.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.35 136.43 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -128.48 152.51 48.16 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 52.84 41.55 31.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 144.23 27.87 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -171.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.39 162.16 35.98 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 124.96 1.304 . . . . 0.0 109.295 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -59.8 -14.55 15.3 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -173.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -83.86 -2.35 56.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.861 0.464 . . . . 0.0 111.794 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -96.17 -18.08 20.36 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 118.374 0.533 . . . . 0.0 109.677 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.18 133.96 50.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -149.2 20.76 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.4 t -125.81 153.28 44.29 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 116.976 0.388 . . . . 0.0 110.846 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.444 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 63.2 m-85 -140.89 160.17 40.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.32 1.048 . . . . 0.0 111.489 -176.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -141.26 155.82 45.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -101.68 160.37 14.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -141.73 150.6 42.02 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 118.222 0.465 . . . . 0.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -123.55 132.31 53.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.284 1.033 . . . . 0.0 110.254 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -138.85 131.07 28.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -154.11 111.94 3.51 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.06 -123.81 34.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 72.1 m -85.17 -7.04 59.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.002 0.521 . . . . 0.0 112.323 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.84 136.2 52.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.209 0.459 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.52 122.84 10.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.666 1.186 . . . . 0.0 109.182 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -160.16 135.09 7.81 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.02 0.373 . . . . 0.0 110.555 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -106.64 135.01 48.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.115 0.566 . . . . 0.0 109.481 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -86.52 78.45 9.2 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -149.02 161.88 41.04 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.223 1.009 . . . . 0.0 109.678 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -80.27 147.26 31.25 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -135.63 -164.6 1.57 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.567 1.547 . . . . 0.0 110.461 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -50.5 6.57 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.942 1.297 . . . . 0.0 113.005 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.52 -15.17 3.19 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -80.63 136.5 36.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -134.78 141.17 46.38 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.367 0.53 . . . . 0.0 110.004 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 t -153.85 162.13 41.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -76.64 155.98 33.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.821 0.848 . . . . 0.0 111.905 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -136.62 171.94 13.75 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.323 1.049 . . . . 0.0 111.225 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.6 tp -114.45 123.88 50.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.732 0.813 . . . . 0.0 109.764 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.8 m -101.36 129.9 47.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.7 t -107.02 148.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.25 155.1 46.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.95 142.59 39.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 123.217 0.607 . . . . 0.0 110.178 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.35 146.35 36.56 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.01 150.92 38.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.716 -0.615 . . . . 0.0 110.724 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.29 65.77 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.2 t . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 174.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -57.68 135.33 56.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.5 9.45 86.84 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-O 119.614 -0.548 . . . . 0.0 112.815 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -55.27 131.95 46.7 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.504 1.152 . . . . 0.0 112.506 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.63 79.4 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 119.46 -0.633 . . . . 0.0 111.854 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.55 106.93 18.49 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 117.668 0.734 . . . . 0.0 109.991 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.428 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -143.09 160.98 39.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.414 0.626 . . . . 0.0 110.64 175.691 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.88 147.23 30.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.576 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.424 HE22 HD23 ' A' ' 12' ' ' LEU . 21.2 mp0 -129.58 130.78 46.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -152.65 159.89 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.919 0.488 . . . . 0.0 110.237 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.97 127.59 29.6 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.0 -27.04 59.98 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -154.24 123.35 6.41 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.511 HG21 HG22 ' A' ' 29' ' ' VAL . 41.4 t -111.98 128.08 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.297 1.1 p -114.19 127.69 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 169.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -133.53 146.67 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.0 0.52 . . . . 0.0 110.044 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.53 155.86 40.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.164 0.507 . . . . 0.0 110.686 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.36 127.7 33.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 121.537 -0.727 . . . . 0.0 109.81 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.95 58.9 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.87 -0.961 . . . . 0.0 114.923 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.08 179.05 6.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.286 1.543 . . . . 0.0 111.653 176.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -101.95 168.96 9.07 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.7 156.09 5.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 124.196 0.998 . . . . 0.0 110.607 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -108.82 142.69 39.03 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.048 0.939 . . . . 0.0 109.782 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.511 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -131.7 112.49 15.05 Favored Pre-proline 0 N--CA 1.456 -0.157 0 C-N-CA 122.958 0.503 . . . . 0.0 110.82 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.27 136.07 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.024 2.482 . . . . 0.0 110.363 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.5 t -148.38 148.47 30.38 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.196 0.598 . . . . 0.0 110.324 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -148.22 155.07 40.92 Favored 'General case' 0 CA--C 1.524 -0.058 0 C-N-CA 123.311 0.644 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -150.83 169.19 22.29 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -146.83 154.13 40.98 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.6 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -151.51 160.66 31.43 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.56 151.88 59.23 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.356 2.704 . . . . 0.0 111.924 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.0 pt20 -89.63 35.94 0.84 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -130.15 155.68 45.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.9 3.39 80.05 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.005 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -151.52 176.21 11.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.547 0.673 . . . . 0.0 111.232 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -145.57 164.13 32.63 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -62.24 -22.0 65.62 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.016 0.526 . . . . 0.0 111.767 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.6 m -76.3 -16.68 59.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.625 0.37 . . . . 0.0 111.979 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.62 119.97 61.52 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 152.4 44.83 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.006 2.471 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.87 153.15 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -136.11 128.92 31.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.18 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.74 157.16 16.81 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -151.1 147.45 27.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -119.32 148.02 43.64 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.275 0.63 . . . . 0.0 111.641 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -144.45 152.93 41.33 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.213 0.605 . . . . 0.0 111.389 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -75.13 146.73 41.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.32 157.81 58.14 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.242 2.628 . . . . 0.0 109.538 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 m -78.13 -22.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 O-C-N 121.815 -0.553 . . . . 0.0 109.547 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.27 146.6 13.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.02 0.528 . . . . 0.0 109.601 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.231 0.121 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.297 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -54.95 140.97 35.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.969 0.414 . . . . 0.0 111.544 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.99 63.01 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -82.38 -5.63 58.75 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 122.235 -0.291 . . . . 0.0 110.856 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.45 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.9 p -125.53 4.62 7.59 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.92 120.37 10.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -12.82 7.11 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.459 -0.634 . . . . 0.0 113.188 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -92.95 -29.16 16.02 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.336 1.068 . . . . 0.0 111.483 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.4 m-85 -106.35 127.95 53.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.73 141.14 26.45 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.41 154.46 38.78 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.072 0.549 . . . . 0.0 109.686 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.8 mt -131.03 172.35 12.19 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 124.054 0.941 . . . . 0.0 110.199 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.88 -177.47 52.02 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 122.899 0.285 . . . . 0.0 113.107 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.47 142.23 28.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.16 -41.8 81.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.02 0.528 . . . . 0.0 111.056 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -81.77 -6.23 58.87 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.487 0.315 . . . . 0.0 110.803 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -97.13 7.29 46.91 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.299 0.639 . . . . 0.0 111.35 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.65 32.89 21.87 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.469 0.708 . . . . 0.0 112.506 -176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.54 126.82 31.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.965 -0.459 . . . . 0.0 111.095 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.44 14.29 22.59 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.938 0.495 . . . . 0.0 111.065 174.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -53.0 150.23 5.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.363 0.665 . . . . 0.0 110.946 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.0 tp -135.88 150.12 49.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.671 -173.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.9 t -125.43 136.27 53.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.219 0.608 . . . . 0.0 109.58 172.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.78 137.52 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 171.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -126.64 147.54 49.9 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.9 t0 47.96 52.97 12.21 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.21 142.03 44.35 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -136.13 161.78 34.76 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.156 0.982 . . . . 0.0 109.341 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.8 -15.89 24.03 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.02 -4.01 59.0 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.189 0.449 . . . . 0.0 111.499 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -93.18 -17.52 23.62 Favored 'General case' 0 N--CA 1.46 0.073 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -68.43 134.37 50.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.083 0.553 . . . . 0.0 109.711 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.31 -149.19 20.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -125.29 151.94 45.33 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 122.831 0.452 . . . . 0.0 110.956 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -139.9 160.98 38.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.447 1.099 . . . . 0.0 111.219 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -143.77 155.56 44.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -102.57 160.63 14.4 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -140.85 150.39 43.2 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.244 0.474 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.61 133.27 53.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.436 1.094 . . . . 0.0 110.07 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -138.75 130.98 28.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 169.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -154.29 110.51 3.26 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.21 38.55 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -172.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -83.1 -6.84 59.64 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 tpp -68.4 137.11 54.28 Favored 'General case' 0 C--N 1.34 0.181 0 O-C-N 121.937 -0.477 . . . . 0.0 111.078 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -149.1 124.23 10.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.732 1.213 . . . . 0.0 109.333 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -162.2 130.71 4.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.162 0.437 . . . . 0.0 111.435 174.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.1 m -98.04 130.26 44.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -82.89 76.86 9.7 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.998 1.111 . . . . 0.0 113.998 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -148.93 164.52 34.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.972 0.909 . . . . 0.0 108.721 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.6 p -76.74 157.08 31.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.29 -163.52 1.53 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.196 1.398 . . . . 0.0 110.02 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.07 -48.97 6.26 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.177 1.391 . . . . 0.0 112.748 -177.299 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.36 -15.9 2.79 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -76.67 141.44 40.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.63 141.35 43.22 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.133 0.573 . . . . 0.0 110.938 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.3 t -155.5 164.21 38.99 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -78.65 156.76 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.628 0.771 . . . . 0.0 111.706 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.01 171.53 14.37 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.588 1.155 . . . . 0.0 111.069 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.89 121.88 44.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.514 0.726 . . . . 0.0 110.07 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 56.7 m -99.39 129.0 45.56 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 171.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -106.32 148.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 173.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.25 155.32 46.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -135.44 143.0 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.097 0 C-N-CA 123.002 0.521 . . . . 0.0 110.026 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -141.52 146.03 35.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.39 151.02 39.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 110.798 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.58 -21.93 66.63 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.469 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 172.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -57.88 132.73 54.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 172.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.43 10.41 85.65 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.676 -0.513 . . . . 0.0 112.853 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -57.65 133.11 55.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.629 1.215 . . . . 0.0 110.245 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.95 76.01 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-O 119.324 -0.709 . . . . 0.0 111.995 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -102.13 106.14 16.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.045 0.923 . . . . 0.0 110.365 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.43 159.94 41.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.47 0.653 . . . . 0.0 110.795 176.65 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -146.46 145.78 30.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.726 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.419 HE22 HD23 ' A' ' 12' ' ' LEU . 22.9 mp0 -126.63 126.51 43.71 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.365 0.666 . . . . 0.0 109.619 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.38 158.17 4.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 122.716 0.406 . . . . 0.0 111.453 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -55.34 128.71 35.44 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.675 0.79 . . . . 0.0 109.72 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.03 -27.73 60.18 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -174.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.7 tp -153.66 124.03 7.06 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.457 HG21 HG22 ' A' ' 29' ' ' VAL . 38.2 t -113.05 128.67 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.2 p -113.94 129.73 56.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 169.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.63 147.23 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.229 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.53 40.14 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -73.94 129.05 37.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.567 -0.708 . . . . 0.0 109.796 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.1 1.11 58.37 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.738 -1.035 . . . . 0.0 114.859 175.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.99 179.15 6.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.351 1.576 . . . . 0.0 111.267 177.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -102.67 169.37 8.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -155.13 153.97 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.287 1.035 . . . . 0.0 110.57 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -108.01 142.93 37.4 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.041 0.936 . . . . 0.0 109.741 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -132.26 112.71 14.39 Favored Pre-proline 0 N--CA 1.456 -0.127 0 C-N-CA 122.935 0.494 . . . . 0.0 110.677 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.13 136.53 20.26 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.701 2.267 . . . . 0.0 110.255 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 49.7 t -150.13 142.58 24.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.313 0.645 . . . . 0.0 110.362 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.1 m -143.23 154.65 44.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.743 0.817 . . . . 0.0 110.448 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -151.02 171.27 17.57 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.608 0.64 . . . . 0.0 112.004 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.3 t -148.81 155.28 40.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.77 161.6 28.71 Favored Pre-proline 0 C--O 1.235 0.321 0 C-N-CA 123.978 0.911 . . . . 0.0 113.456 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.22 151.76 57.46 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.39 2.727 . . . . 0.0 111.654 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.3 pt20 -89.58 35.88 0.83 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 112.309 -176.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.97 157.73 41.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.28 3.25 84.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.253 0.454 . . . . 0.0 112.081 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -151.47 175.02 12.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.573 0.686 . . . . 0.0 111.054 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -144.61 163.12 34.86 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.66 -22.49 65.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.041 0.537 . . . . 0.0 112.27 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.3 m -76.59 -16.22 59.64 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.106 -0.371 . . . . 0.0 111.973 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -97.92 119.94 61.16 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 122.775 0.43 . . . . 0.0 111.39 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.22 153.22 45.79 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.688 2.259 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -75.22 152.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -136.17 130.96 34.01 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.599 171.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.41 157.01 15.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -151.34 147.96 27.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -117.59 147.92 42.39 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.041 0.536 . . . . 0.0 112.099 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.69 153.25 43.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 75.3 mtt-85 -79.81 140.83 36.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.387 0 O-C-N 122.098 -0.376 . . . . 0.0 110.738 -177.346 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.16 155.89 60.38 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.035 2.49 . . . . 0.0 109.569 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.26 -20.58 13.41 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 O-C-N 121.88 -0.512 . . . . 0.0 109.995 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.83 146.61 14.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.003 0.521 . . . . 0.0 109.762 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.333 -0.12 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 177.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.074 -0.013 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -55.67 141.41 38.0 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.6 0.238 . . . . 0.0 111.468 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.61 -23.84 62.63 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -86.36 -3.5 59.0 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.12 -0.362 . . . . 0.0 111.157 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.7 p -124.42 4.59 8.37 Favored 'General case' 0 CA--C 1.524 -0.046 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.2 120.82 11.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.94 -13.93 4.02 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 123.662 0.648 . . . . 0.0 113.075 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -90.72 -30.45 17.07 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 118.72 1.26 . . . . 0.0 111.219 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.1 m-85 -106.04 126.46 52.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 176.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.29 141.29 27.17 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 154.51 39.06 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.447 0.699 . . . . 0.0 109.48 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -131.67 171.68 13.18 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.93 0.892 . . . . 0.0 110.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.03 -178.5 53.79 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 121.035 0.242 . . . . 0.0 113.16 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -88.49 133.28 34.18 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.56 -39.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 111.262 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -82.72 -6.18 59.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.386 0.274 . . . . 0.0 110.702 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -97.35 8.64 44.19 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.197 0.599 . . . . 0.0 111.082 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.74 35.06 25.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.181 0.593 . . . . 0.0 112.438 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -79.02 129.01 33.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.457 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.71 14.06 17.45 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.046 0.538 . . . . 0.0 110.981 174.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -53.11 150.12 6.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.052 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.34 150.27 49.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.503 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.3 t -125.7 136.35 53.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.159 0.584 . . . . 0.0 109.783 172.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.56 136.97 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 96' ' ' ARG . 45.1 mtp180 -127.27 148.12 50.22 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.915 0.486 . . . . 0.0 109.728 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 t0 48.47 50.12 17.27 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 139.28 50.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.403 0.281 . . . . 0.0 111.695 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -137.46 166.33 24.11 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.882 0.873 . . . . 0.0 110.011 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -59.66 -15.88 22.46 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -81.81 -4.68 57.02 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.565 0.621 . . . . 0.0 111.631 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -94.76 -17.72 21.91 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 117.923 0.329 . . . . 0.0 110.242 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -69.75 135.17 49.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.75 -149.58 21.34 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.4 153.07 43.98 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.763 0.425 . . . . 0.0 110.957 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 74.5 m-85 -140.43 160.44 39.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.172 0.989 . . . . 0.0 111.23 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.27 155.93 44.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -102.18 158.18 16.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.424 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.8 ttt85 -137.92 149.42 46.19 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.008 0.367 . . . . 0.0 110.948 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.17 132.01 53.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.765 1.226 . . . . 0.0 110.614 -175.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -138.74 132.31 30.53 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -153.79 112.31 3.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.7 -122.85 30.84 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -84.74 -11.07 56.57 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.242 0.617 . . . . 0.0 111.845 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 tpp -65.32 135.75 55.72 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 122.013 -0.429 . . . . 0.0 111.267 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -146.69 123.55 11.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.857 1.263 . . . . 0.0 109.571 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -160.36 141.42 12.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 174.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.424 ' HB3' HH11 ' A' ' 109' ' ' ARG . 76.1 p -119.42 133.17 55.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -84.39 78.3 9.84 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -174.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -146.75 161.68 40.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -77.79 156.39 30.54 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -139.67 -164.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.348 1.459 . . . . 0.0 109.869 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -49.71 7.5 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.94 1.296 . . . . 0.0 112.939 -176.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.88 -14.5 3.12 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.71 138.96 38.52 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.17 141.3 42.19 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 123.009 0.524 . . . . 0.0 110.277 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 t -154.82 164.38 38.9 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.92 153.76 40.85 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.34 1.056 . . . . 0.0 111.56 -176.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -138.77 166.7 23.73 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.086 0.955 . . . . 0.0 110.779 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.29 121.84 46.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.502 0.721 . . . . 0.0 110.112 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.4 m -99.25 129.8 45.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.94 148.14 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.077 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 172.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.05 155.25 46.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -134.45 142.85 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 122.888 0.475 . . . . 0.0 110.225 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.8 t -141.75 146.62 36.21 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.162 0.585 . . . . 0.0 112.555 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.99 149.94 41.0 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.878 -0.514 . . . . 0.0 111.038 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.8 -25.21 67.14 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.013 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.0 OUTLIER . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -57.67 133.43 55.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.88 10.7 86.04 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.908 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.29 130.22 43.59 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.337 1.069 . . . . 0.0 112.479 175.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.21 80.33 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.718 -0.49 . . . . 0.0 111.941 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -102.04 107.3 18.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.864 0.832 . . . . 0.0 108.788 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -143.04 162.44 35.48 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 176.269 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -147.74 146.29 29.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.432 0.693 . . . . 0.0 109.464 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.443 HE22 HD23 ' A' ' 12' ' ' LEU . 22.4 mp0 -126.06 127.02 45.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' H ' ' HG2' ' A' ' 128' ' ' LYS . 8.6 p -152.41 157.25 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.537 0.335 . . . . 0.0 111.492 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -52.83 130.85 34.31 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.895 0.878 . . . . 0.0 110.375 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.77 -30.69 61.54 Favored 'General case' 0 N--CA 1.458 -0.06 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.9 tp -154.17 122.02 5.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.041 0.448 . . . . 0.0 109.979 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 HG22 ' A' ' 29' ' ' VAL . 42.6 t -109.58 128.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.1 p -114.8 128.78 56.49 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 169.524 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -133.7 147.15 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.221 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.66 155.63 40.28 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 110.601 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -73.8 127.59 33.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 121.445 -0.784 . . . . 0.0 109.618 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.56 1.43 58.99 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 118.871 -0.961 . . . . 0.0 115.077 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.56 -179.99 5.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.342 1.571 . . . . 0.0 111.515 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.6 p -103.55 168.94 8.83 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.29 155.0 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.396 1.078 . . . . 0.0 110.542 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -108.82 142.52 39.27 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 110.089 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.479 HG22 HG21 ' A' ' 19' ' ' VAL . 37.0 t -131.22 112.2 15.61 Favored Pre-proline 0 CA--C 1.528 0.102 0 C-N-CA 123.02 0.528 . . . . 0.0 110.668 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.49 135.98 18.87 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.729 2.286 . . . . 0.0 110.282 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -148.22 147.2 29.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.014 0.525 . . . . 0.0 110.334 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -147.28 155.81 42.38 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 123.25 0.62 . . . . 0.0 110.775 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -150.91 169.45 21.7 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.9 t -147.85 153.54 39.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.857 0.463 . . . . 0.0 111.111 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -154.44 160.36 31.0 Favored Pre-proline 0 N--CA 1.454 -0.265 0 C-N-CA 123.752 0.821 . . . . 0.0 113.105 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -59.35 154.23 48.45 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.164 2.576 . . . . 0.0 111.629 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.7 pt20 -81.75 13.2 3.33 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 151.32 20.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.45 4.94 89.96 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.855 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.488 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.76 174.16 12.48 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.454 1.127 . . . . 0.0 111.258 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -145.04 163.26 34.78 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -59.05 -23.8 62.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -76.27 -16.21 59.84 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -96.76 120.14 62.41 Favored Pre-proline 0 C--O 1.232 0.16 0 C-N-CA 122.87 0.468 . . . . 0.0 111.289 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.63 152.28 37.71 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.954 2.436 . . . . 0.0 110.42 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -72.4 153.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -136.24 128.73 30.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.618 0.247 . . . . 0.0 110.573 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 156.51 16.52 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.599 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -149.96 146.47 27.05 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -118.27 145.95 44.66 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.947 0.499 . . . . 0.0 112.031 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -142.7 153.06 43.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 80.2 mtt-85 -79.28 141.99 36.55 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 O-C-N 122.161 -0.337 . . . . 0.0 110.908 -177.629 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.14 159.1 54.32 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.458 2.772 . . . . 0.0 109.883 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.8 m -79.36 -20.55 12.51 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.075 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.5 146.2 13.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.232 0.158 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 177.911 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 CA--C 1.527 0.087 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -56.78 142.37 40.89 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 121.059 0.457 . . . . 0.0 111.261 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.64 -23.94 62.62 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -85.36 -3.39 58.82 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.792 0.269 . . . . 0.0 111.199 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.429 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -126.34 5.31 6.99 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.74 119.73 9.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.19 -13.91 5.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.336 -0.702 . . . . 0.0 113.356 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -90.34 -29.62 17.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 118.404 1.102 . . . . 0.0 111.314 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.429 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.3 m-85 -105.49 127.97 53.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 175.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -147.06 142.07 27.03 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.85 154.47 39.46 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.431 0.692 . . . . 0.0 109.431 175.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -133.55 172.66 12.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.963 0.905 . . . . 0.0 110.136 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.47 -178.13 53.2 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 121.186 0.325 . . . . 0.0 113.114 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.45 132.67 33.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.48 -40.0 86.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.393 0.677 . . . . 0.0 111.151 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -82.21 -8.5 59.65 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.572 0.349 . . . . 0.0 110.798 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -95.49 8.59 42.84 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.437 0.695 . . . . 0.0 111.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 56.96 34.03 24.24 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.15 0.58 . . . . 0.0 112.316 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -78.14 126.77 31.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.074 -0.391 . . . . 0.0 111.417 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -111.52 14.56 21.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.2 0.6 . . . . 0.0 111.169 174.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -53.31 150.05 6.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.094 0.558 . . . . 0.0 111.117 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.2 tp -134.9 149.59 50.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.698 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 83' ' ' LEU . 23.5 t -125.4 135.66 52.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.262 0.625 . . . . 0.0 109.592 173.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.08 136.31 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -126.5 147.52 49.82 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.792 0.437 . . . . 0.0 109.839 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 47.61 53.37 11.27 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.92 141.84 43.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -137.24 164.16 29.18 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 124.477 1.111 . . . . 0.0 109.105 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.92 -15.66 33.5 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -173.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -82.31 -4.1 56.58 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.209 0.459 . . . . 0.0 111.793 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -93.71 -16.76 23.91 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -72.42 136.38 46.03 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.884 0.474 . . . . 0.0 109.816 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.36 -148.19 19.14 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.1 t -126.97 151.46 48.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.713 0.405 . . . . 0.0 110.887 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 73.8 m-85 -139.1 162.26 35.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.321 1.048 . . . . 0.0 110.776 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -144.56 157.77 44.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -104.22 160.08 15.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -139.84 148.0 41.51 Favored 'General case' 0 C--N 1.335 -0.026 0 CA-C-N 118.184 0.447 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.5 tp -121.08 134.39 55.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.45 1.1 . . . . 0.0 110.084 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.6 132.49 29.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 169.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -155.09 110.95 3.14 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -123.12 32.15 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -83.68 -11.92 56.58 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.05 0.54 . . . . 0.0 111.757 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.8 tpp -66.09 136.95 56.69 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 121.828 -0.545 . . . . 0.0 111.681 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -148.41 124.01 10.43 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.067 1.347 . . . . 0.0 109.331 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -160.79 127.58 4.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.354 0.525 . . . . 0.0 111.361 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -96.0 133.09 40.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.199 0.6 . . . . 0.0 109.456 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -84.25 78.57 9.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -146.69 158.09 43.83 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.453 1.101 . . . . 0.0 109.029 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.0 t -81.29 150.28 28.6 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.96 -163.18 1.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.223 1.409 . . . . 0.0 110.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -48.6 5.34 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 125.392 1.477 . . . . 0.0 113.187 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 -13.09 3.22 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -78.2 142.39 37.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -138.49 140.07 39.04 Favored 'General case' 0 C--N 1.337 0.057 0 C-N-CA 122.801 0.441 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 t -155.21 164.75 38.38 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 15' ' ' VAL . 16.1 tppt? -72.63 153.44 41.23 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -175.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.4 168.34 19.82 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.255 1.022 . . . . 0.0 110.986 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.9 tp -113.38 127.88 56.27 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.443 0.697 . . . . 0.0 109.847 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.1 m -103.89 133.36 49.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.13 148.34 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.21 45.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.97 142.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 C-N-CA 122.879 0.472 . . . . 0.0 110.189 -176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.42 146.31 36.39 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.71 149.36 39.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 122.22 -0.3 . . . . 0.0 110.885 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.44 -22.6 66.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 173.693 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.316 1.2 t . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 12.0 t80 -58.56 134.43 56.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 172.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.36 9.03 87.37 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.597 -0.557 . . . . 0.0 112.543 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -57.06 132.32 52.54 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.62 1.21 . . . . 0.0 112.26 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 -8.4 75.23 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 119.553 -0.582 . . . . 0.0 111.958 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.65 103.29 14.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 117.807 0.804 . . . . 0.0 110.777 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -140.69 160.59 39.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.503 0.668 . . . . 0.0 110.62 176.299 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -146.85 146.33 30.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.568 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.428 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -126.06 126.81 44.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.19 157.57 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.664 0.269 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -53.03 130.77 34.91 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.711 0.804 . . . . 0.0 110.159 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.06 -29.4 60.72 Favored 'General case' 0 C--O 1.23 0.07 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -155.5 121.75 5.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.996 0.427 . . . . 0.0 110.24 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.482 HG21 HG22 ' A' ' 29' ' ' VAL . 45.1 t -109.24 121.83 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 p -106.02 127.26 53.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.37 144.85 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.04 155.87 39.84 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 110.768 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -72.17 128.22 34.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.668 -0.645 . . . . 0.0 110.032 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.4 1.99 60.5 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 118.81 -0.995 . . . . 0.0 114.78 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.06 179.22 6.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.387 1.593 . . . . 0.0 111.69 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -103.62 168.29 9.24 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -175.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -155.0 148.92 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.211 1.004 . . . . 0.0 111.044 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -102.2 142.57 33.23 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.705 0.802 . . . . 0.0 110.047 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 HG21 ' A' ' 19' ' ' VAL . 41.2 t -131.2 111.47 15.49 Favored Pre-proline 0 N--CA 1.455 -0.176 0 C-N-CA 122.993 0.517 . . . . 0.0 110.683 177.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.75 135.71 19.95 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.874 2.382 . . . . 0.0 110.1 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.0 t -148.61 147.01 28.49 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.774 0.43 . . . . 0.0 110.363 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.5 t -148.18 155.63 41.62 Favored 'General case' 0 C--N 1.335 -0.042 0 C-N-CA 122.788 0.435 . . . . 0.0 110.268 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -150.86 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.274 0.559 . . . . 0.0 112.492 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -148.19 154.58 40.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.45 159.96 31.92 Favored Pre-proline 0 N--CA 1.455 -0.222 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.96 152.05 53.45 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.177 2.585 . . . . 0.0 111.973 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.3 pt20 -89.83 36.11 0.85 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 123.585 0.754 . . . . 0.0 112.494 -176.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.65 155.61 45.57 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.84 4.4 82.38 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.654 -0.526 . . . . 0.0 112.244 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -152.07 174.98 13.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 117.732 0.766 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -143.18 162.62 35.11 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -61.41 -21.36 64.03 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -76.18 -23.38 54.69 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.513 0.325 . . . . 0.0 111.358 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -89.56 121.15 69.45 Favored Pre-proline 0 N--CA 1.454 -0.228 0 CA-C-O 119.066 -0.492 . . . . 0.0 111.42 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.95 153.54 42.1 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.726 2.284 . . . . 0.0 110.505 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.39 151.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -136.15 129.83 32.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.159 0.504 . . . . 0.0 110.474 172.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.38 157.79 15.72 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -151.8 148.28 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -118.1 148.06 42.67 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -145.69 155.95 43.32 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.365 0.666 . . . . 0.0 111.773 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.2 mtm180 -86.62 145.76 26.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -177.569 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -70.91 155.18 62.59 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.133 2.555 . . . . 0.0 110.041 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 m -77.62 -20.57 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.06 148.08 13.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.669 0.387 . . . . 0.0 109.994 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.232 0.149 0 C-N-CA 122.35 0.26 . . . . 0.0 111.46 178.694 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.457 -0.076 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.68 139.01 40.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -20.9 63.2 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.324 0.25 . . . . 0.0 111.436 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -89.03 -2.12 58.42 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.694 0.398 . . . . 0.0 111.295 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.0 p -126.27 5.15 7.04 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.49 120.74 11.69 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -175.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.35 -14.44 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.441 -0.644 . . . . 0.0 112.898 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -88.75 -31.28 18.49 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.519 1.159 . . . . 0.0 110.85 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.6 m-85 -107.46 126.58 52.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 176.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -146.71 141.92 27.29 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.19 154.45 39.05 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.369 0.668 . . . . 0.0 109.78 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -131.33 172.24 12.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.002 0.921 . . . . 0.0 110.188 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.79 -179.23 52.76 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 121.066 0.259 . . . . 0.0 112.903 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.39 132.9 33.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.97 -39.81 85.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.544 0.738 . . . . 0.0 111.072 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -82.52 -7.3 59.64 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.469 0.308 . . . . 0.0 110.91 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -96.88 8.92 43.32 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.251 0.62 . . . . 0.0 111.108 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 56.86 34.14 24.29 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.271 0.629 . . . . 0.0 112.209 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.2 128.01 32.76 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.089 -0.382 . . . . 0.0 111.808 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.474 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -113.95 14.59 18.5 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 123.283 0.633 . . . . 0.0 111.153 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.7 m -52.96 150.26 5.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.926 0.49 . . . . 0.0 110.941 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.7 tp -135.65 149.05 49.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.636 -174.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.476 ' HB2' HD11 ' A' ' 83' ' ' LEU . 20.6 t -124.05 134.29 53.45 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.33 0.652 . . . . 0.0 109.698 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.7 136.69 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.12 149.01 50.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.37 53.18 12.35 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 143.79 37.12 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -138.12 161.7 36.1 Favored 'General case' 0 CA--C 1.523 -0.079 0 C-N-CA 124.25 1.02 . . . . 0.0 109.447 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.69 -15.3 27.46 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -85.19 -2.42 58.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.971 0.509 . . . . 0.0 111.591 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -95.83 -18.5 20.33 Favored 'General case' 0 C--N 1.338 0.095 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.63 136.68 54.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.997 0.519 . . . . 0.0 109.868 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.36 -150.53 22.37 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.3 t -123.08 152.82 40.68 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.035 0.534 . . . . 0.0 110.601 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.533 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 59.0 m-85 -137.2 157.91 45.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.669 1.188 . . . . 0.0 112.608 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -144.03 153.39 42.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -101.58 157.43 16.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -136.29 149.79 48.61 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 122.644 0.378 . . . . 0.0 111.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tp -127.4 131.78 50.24 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.514 1.125 . . . . 0.0 110.178 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.34 131.35 27.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -154.11 112.19 3.54 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.22 -125.22 38.38 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.1 t -83.17 -11.28 58.04 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.875 0.47 . . . . 0.0 111.809 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.6 tpp -64.66 135.48 55.96 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 121.748 -0.595 . . . . 0.0 111.434 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -145.62 124.63 12.79 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.714 1.206 . . . . 0.0 109.251 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -161.82 150.47 15.44 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.9 p -133.81 136.26 44.35 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.12 78.34 9.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -170.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -148.05 154.36 40.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -65.11 156.15 32.55 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.19 -165.14 1.95 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.267 1.427 . . . . 0.0 109.474 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.455 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.72 -48.82 20.26 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.047 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.66 -13.57 3.3 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.75 0.42 . . . . 0.0 111.937 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -75.49 142.68 42.84 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -139.23 138.23 36.65 Favored 'General case' 0 CA--C 1.524 -0.051 0 C-N-CA 123.188 0.595 . . . . 0.0 110.25 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 t -154.56 166.12 34.33 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.7 153.2 43.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.872 1.269 . . . . 0.0 112.037 -174.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -139.08 168.46 19.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.226 1.011 . . . . 0.0 110.626 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 19.3 tp -114.89 123.77 50.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.494 0.718 . . . . 0.0 109.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 73.8 m -99.48 131.98 45.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 170.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.46 148.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.66 155.07 46.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.23 143.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.627 0.371 . . . . 0.0 110.179 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -142.18 145.77 34.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.2 0.6 . . . . 0.0 112.475 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.19 149.61 40.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.018 -0.426 . . . . 0.0 111.0 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.43 -33.74 76.58 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.865 0.466 . . . . 0.0 110.19 176.247 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.323 0.8 OUTLIER . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 176.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.24 133.75 52.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.46 11.63 85.3 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 119.7 -0.5 . . . . 0.0 113.062 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -54.89 130.5 41.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.513 1.157 . . . . 0.0 112.64 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.75 -7.68 81.36 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.36 -0.689 . . . . 0.0 112.088 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -101.42 104.28 15.22 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.029 0.915 . . . . 0.0 110.219 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.86 162.93 34.25 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.307 0.575 . . . . 0.0 110.665 176.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.46 146.55 28.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.697 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.419 HE22 HD23 ' A' ' 12' ' ' LEU . 22.2 mp0 -129.3 131.66 47.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -152.91 159.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 110.321 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.63 128.42 32.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -76.09 -26.61 56.63 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -155.3 122.36 5.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.855 0.462 . . . . 0.0 109.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.527 HG21 HG22 ' A' ' 29' ' ' VAL . 42.7 t -110.12 124.85 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -109.08 128.76 55.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.87 146.1 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.34 156.37 39.16 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.179 0.514 . . . . 0.0 110.851 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -73.48 128.54 35.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.721 -0.612 . . . . 0.0 110.019 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.01 2.29 60.99 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.723 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.16 178.35 6.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.487 1.644 . . . . 0.0 111.508 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -101.66 168.91 9.17 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -154.41 154.07 7.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.281 1.032 . . . . 0.0 110.698 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -107.34 141.95 37.9 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.638 0.775 . . . . 0.0 109.695 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG22 HG21 ' A' ' 19' ' ' VAL . 36.9 t -130.42 111.51 16.54 Favored Pre-proline 0 N--CA 1.455 -0.211 0 C-N-CA 123.12 0.568 . . . . 0.0 110.726 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.1 135.81 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.771 2.314 . . . . 0.0 110.305 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.8 t -148.64 147.94 29.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.747 0.419 . . . . 0.0 110.352 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -147.88 155.54 41.72 Favored 'General case' 0 C--O 1.23 0.04 0 C-N-CA 123.486 0.714 . . . . 0.0 110.365 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -150.68 169.72 20.94 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 t -146.82 152.81 39.36 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 122.78 0.432 . . . . 0.0 110.756 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -153.63 159.98 31.47 Favored Pre-proline 0 C--O 1.232 0.162 0 C-N-CA 124.018 0.927 . . . . 0.0 113.303 -175.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.33 153.38 53.97 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.349 2.699 . . . . 0.0 111.522 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.6 pt20 -82.83 14.35 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -92.65 149.62 21.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.47 5.28 87.09 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.157 -0.802 . . . . 0.0 113.061 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.499 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -149.07 173.77 13.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.652 1.226 . . . . 0.0 111.197 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -143.63 162.28 36.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.16 -22.85 61.59 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -75.21 -22.31 58.03 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 122.212 -0.305 . . . . 0.0 111.581 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -89.66 120.94 69.52 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 122.831 0.452 . . . . 0.0 111.729 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 153.55 39.71 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.089 2.526 . . . . 0.0 110.171 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.12 153.26 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -135.94 127.77 29.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.88 157.44 17.31 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -151.08 148.35 28.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -122.12 148.55 44.76 Favored 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 122.978 0.511 . . . . 0.0 111.831 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -145.57 154.39 42.11 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.063 0.545 . . . . 0.0 110.746 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -75.78 147.53 39.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.18 156.78 55.01 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.237 2.625 . . . . 0.0 109.83 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -77.25 -22.79 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 O-C-N 121.843 -0.536 . . . . 0.0 109.579 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.95 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.144 0.578 . . . . 0.0 109.545 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.881 0.372 . . . . 0.0 111.729 179.478 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.139 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -53.74 141.18 27.45 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.496 0.318 . . . . 0.0 111.276 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.66 -25.92 63.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -82.34 -5.06 58.35 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.923 0.329 . . . . 0.0 110.878 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.437 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -124.59 4.57 8.25 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 178.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.96 121.04 11.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -8.32 20.17 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.24 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -99.16 -29.3 12.93 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.345 1.073 . . . . 0.0 111.645 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.437 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.0 m-85 -104.52 127.74 52.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.38 139.21 25.46 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.6 154.42 38.56 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.074 0.549 . . . . 0.0 109.794 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.8 mt -131.51 173.17 11.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.248 1.019 . . . . 0.0 110.076 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.66 -179.03 52.77 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 121.212 0.34 . . . . 0.0 113.143 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.77 131.77 34.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.38 -38.7 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.447 0.699 . . . . 0.0 111.042 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.48 -5.49 59.18 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.66 0.384 . . . . 0.0 110.999 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -100.43 10.53 41.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.352 0.661 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 57.11 33.44 23.33 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.303 0.641 . . . . 0.0 112.473 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -78.55 128.31 33.36 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.587 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -112.81 15.1 19.94 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.152 0.581 . . . . 0.0 111.084 174.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.7 m -53.44 150.44 6.59 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.011 0.524 . . . . 0.0 111.063 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -135.82 150.52 49.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.382 -174.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.525 ' HB2' HD11 ' A' ' 83' ' ' LEU . 27.0 t -127.08 133.74 50.38 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.978 0.511 . . . . 0.0 109.763 172.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -103.64 137.99 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -126.99 146.38 50.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.079 0.552 . . . . 0.0 109.88 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 48.52 53.26 12.38 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 141.71 45.03 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -137.68 163.84 30.3 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.161 0.984 . . . . 0.0 109.567 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.2 -16.35 32.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -171.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.29 -7.08 59.62 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.224 0.466 . . . . 0.0 111.48 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -90.55 -18.74 24.72 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.97 134.76 49.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.936 0.494 . . . . 0.0 109.821 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.45 -147.51 17.49 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.1 t -127.51 152.48 47.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.983 0.513 . . . . 0.0 110.642 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -139.79 161.03 38.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.455 1.102 . . . . 0.0 111.479 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -144.1 155.64 44.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -102.87 160.61 14.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -140.78 150.41 43.31 Favored 'General case' 0 C--N 1.335 -0.053 0 O-C-N 121.952 -0.468 . . . . 0.0 110.512 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -124.01 134.84 53.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.438 1.095 . . . . 0.0 110.255 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -139.97 131.97 27.82 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -153.92 111.65 3.51 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.47 -124.43 35.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -82.56 -11.42 58.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.172 0.589 . . . . 0.0 111.88 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.9 tpp -65.64 137.01 57.05 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 121.809 -0.557 . . . . 0.0 111.519 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.12 124.75 11.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.612 1.165 . . . . 0.0 109.503 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.2 t-105 -160.98 127.62 4.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 118.276 0.489 . . . . 0.0 111.182 175.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 m -96.16 130.09 43.29 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 123.102 0.561 . . . . 0.0 109.54 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -82.17 77.46 8.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -146.42 162.68 37.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.4 p -77.88 156.61 30.25 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.64 -164.21 1.69 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.247 1.419 . . . . 0.0 110.111 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -49.43 7.58 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 125.492 1.517 . . . . 0.0 113.007 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -15.26 3.1 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -79.04 137.52 37.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -135.21 141.45 45.82 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 122.916 0.486 . . . . 0.0 110.413 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 t -153.2 162.04 41.75 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.6 155.63 33.39 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.554 0.742 . . . . 0.0 111.769 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -136.2 171.31 14.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 124.528 1.131 . . . . 0.0 110.938 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.61 123.25 49.49 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.753 0.821 . . . . 0.0 109.993 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 m -100.23 131.38 46.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 170.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.43 148.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.51 154.96 47.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.39 142.84 40.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 122.982 0.513 . . . . 0.0 110.446 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -142.67 145.29 33.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.267 0.627 . . . . 0.0 112.687 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.65 41.56 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.904 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.83 -19.28 65.83 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.127 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.33 1.1 t . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 117.108 2.262 . . . . 0.0 117.108 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.67 132.89 54.6 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.14 12.22 84.82 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.833 -0.426 . . . . 0.0 113.189 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -55.85 129.62 40.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.436 1.118 . . . . 0.0 112.573 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.07 -6.52 83.56 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.51 -0.605 . . . . 0.0 111.873 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -101.9 104.01 14.7 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.693 0.746 . . . . 0.0 110.388 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.448 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.01 162.58 35.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.152 0.501 . . . . 0.0 110.832 176.795 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -147.7 146.81 29.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.11 -174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.448 HE22 HD23 ' A' ' 12' ' ' LEU . 21.7 mp0 -129.66 131.02 46.28 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.14 0.576 . . . . 0.0 109.552 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -152.74 160.23 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 122.943 0.497 . . . . 0.0 110.642 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.51 128.53 32.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -76.58 -27.55 55.86 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.43 122.35 5.92 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.854 0.461 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.493 HG21 HG22 ' A' ' 29' ' ' VAL . 42.9 t -110.1 124.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -109.0 127.98 54.55 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 173.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.05 146.02 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.63 156.78 38.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.977 0.418 . . . . 0.0 110.843 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -73.32 128.16 34.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.821 -0.549 . . . . 0.0 109.903 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 1.75 59.91 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.618 -1.101 . . . . 0.0 114.56 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 179.6 5.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.448 1.624 . . . . 0.0 111.425 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.9 p -103.3 169.51 8.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -175.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -156.22 149.08 11.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.178 0.991 . . . . 0.0 110.64 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -101.72 144.22 30.68 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.712 0.805 . . . . 0.0 109.583 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 19' ' ' VAL . 40.7 t -132.3 111.79 14.15 Favored Pre-proline 0 C--N 1.334 -0.069 0 C-N-CA 123.276 0.63 . . . . 0.0 110.897 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.57 136.21 18.99 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.905 2.403 . . . . 0.0 110.182 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.9 t -148.61 147.75 29.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.092 0.557 . . . . 0.0 110.329 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -148.02 155.53 41.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.313 0.645 . . . . 0.0 110.34 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -150.81 168.45 24.4 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 t -145.55 152.99 40.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.104 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -153.0 158.45 32.88 Favored Pre-proline 0 CA--C 1.529 0.152 0 C-N-CA 124.605 1.162 . . . . 0.0 112.856 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -62.82 153.32 73.51 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.773 2.315 . . . . 0.0 110.548 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.4 pt20 -80.24 13.95 2.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -91.14 149.6 21.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.38 4.76 87.7 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.231 -0.76 . . . . 0.0 113.456 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -148.85 174.61 12.04 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.594 1.197 . . . . 0.0 111.22 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -144.8 162.35 36.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.89 -22.31 62.2 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.4 t -75.51 -19.23 59.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.134 -0.354 . . . . 0.0 111.523 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -94.39 121.81 62.64 Favored Pre-proline 0 N--CA 1.455 -0.188 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.99 153.77 37.42 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.935 2.423 . . . . 0.0 110.478 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.76 151.97 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -136.26 122.87 20.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.003 -0.435 . . . . 0.0 110.081 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.66 159.72 18.3 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.75 149.06 28.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -122.19 147.7 45.85 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -145.18 153.77 41.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.058 0.543 . . . . 0.0 110.964 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -75.67 146.99 39.79 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.341 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -71.08 158.86 54.0 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.23 2.62 . . . . 0.0 109.578 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -79.33 -21.88 12.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 O-C-N 121.894 -0.504 . . . . 0.0 109.715 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.06 146.72 14.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.946 0.498 . . . . 0.0 109.72 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.331 -0.198 0 O-C-N 123.19 0.306 . . . . 0.0 111.722 178.845 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 CA--C 1.527 0.064 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -55.09 140.9 36.57 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 111.39 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -24.85 63.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.673 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -82.67 -5.93 59.11 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.765 0.257 . . . . 0.0 111.033 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.444 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -125.25 5.83 7.78 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.95 119.87 9.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.06 -14.41 4.82 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 123.663 0.649 . . . . 0.0 113.526 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -89.58 -30.02 18.47 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.4 1.1 . . . . 0.0 111.273 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.7 m-85 -103.34 127.64 50.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -138.61 135.71 35.22 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 154.0 39.03 Favored 'General case' 0 C--N 1.335 -0.065 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -136.5 174.0 11.1 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.44 0.696 . . . . 0.0 110.337 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.04 -177.95 52.86 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 122.965 0.317 . . . . 0.0 112.411 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -87.01 130.96 34.23 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.33 -38.64 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.394 0.677 . . . . 0.0 110.776 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -83.51 -4.22 58.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.475 0.31 . . . . 0.0 111.004 -175.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -101.14 10.4 40.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 56.25 34.47 24.07 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.486 0.714 . . . . 0.0 112.312 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.67 127.85 32.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 174.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.1 p -113.03 15.07 19.7 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.019 0.528 . . . . 0.0 110.987 175.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -52.64 150.24 5.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.041 0.537 . . . . 0.0 111.354 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.2 tp -135.23 151.64 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.296 0.639 . . . . 0.0 110.342 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 83' ' ' LEU . 11.9 t -126.83 138.88 53.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.459 0.704 . . . . 0.0 109.548 172.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -111.54 135.9 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -126.36 147.5 49.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.714 0.406 . . . . 0.0 110.02 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.8 t0 47.76 53.12 11.78 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.91 142.68 40.5 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -136.82 163.0 31.66 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.299 1.04 . . . . 0.0 109.294 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.39 -15.06 22.47 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.99 -6.08 59.35 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.239 0.472 . . . . 0.0 111.774 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -91.68 -17.71 25.06 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -70.21 135.31 48.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.777 0.431 . . . . 0.0 109.95 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.21 -148.18 19.13 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.7 t -126.09 152.84 45.33 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.875 0.47 . . . . 0.0 110.679 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -140.73 161.39 37.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.098 0.959 . . . . 0.0 111.135 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -144.26 155.31 43.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -101.76 159.17 15.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -142.32 152.25 42.76 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.119 0.418 . . . . 0.0 110.822 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -128.58 137.17 51.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.76 0.824 . . . . 0.0 111.27 -171.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -139.79 136.2 33.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.877 0.871 . . . . 0.0 109.122 168.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.36 110.38 3.0 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -123.71 34.17 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -82.46 -11.0 58.8 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.011 0.524 . . . . 0.0 112.074 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -65.67 136.52 56.4 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.26 0.482 . . . . 0.0 111.486 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.94 123.41 10.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.894 1.278 . . . . 0.0 109.117 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -159.88 132.2 6.44 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 118.319 0.509 . . . . 0.0 110.994 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.6 m -100.65 128.48 46.68 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -82.22 78.23 8.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -147.05 152.26 38.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.214 0.606 . . . . 0.0 110.139 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.8 p -71.19 151.59 44.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -144.71 -158.44 0.89 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.206 0.603 . . . . 0.0 109.651 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.39 -50.54 16.46 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.192 0.997 . . . . 0.0 112.694 -174.014 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.26 -18.41 2.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -75.15 141.07 43.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -138.28 141.45 39.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.765 0.426 . . . . 0.0 110.043 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.5 t -155.1 162.78 40.92 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -76.29 157.49 32.47 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.476 0.71 . . . . 0.0 112.006 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -136.6 171.15 14.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.352 1.061 . . . . 0.0 111.14 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -113.83 124.53 52.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.75 0.82 . . . . 0.0 109.627 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.5 m -101.74 131.29 48.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.6 t -108.91 148.12 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.26 154.39 46.84 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.464 -1.309 . . . . 0.0 107.464 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -133.31 142.39 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 122.921 0.488 . . . . 0.0 110.297 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.92 146.46 35.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.87 150.54 39.16 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 111.233 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.614 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.22 65.75 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.472 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 171.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -57.84 134.13 56.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.68 8.52 86.27 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.905 -0.386 . . . . 0.0 113.091 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -57.82 132.48 53.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.325 1.062 . . . . 0.0 110.927 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.32 -9.42 77.53 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-O 119.511 -0.605 . . . . 0.0 112.06 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.11 105.54 16.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.692 0.746 . . . . 0.0 110.179 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.89 161.27 38.39 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.411 0.625 . . . . 0.0 110.552 176.476 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -146.12 147.03 31.12 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.368 0.667 . . . . 0.0 109.91 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.423 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.24 129.36 43.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.136 0.574 . . . . 0.0 109.747 176.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.75 160.04 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 122.991 0.517 . . . . 0.0 110.129 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -56.42 128.05 34.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -76.6 -26.0 54.53 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -153.96 122.99 6.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 109.937 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.503 HG21 HG22 ' A' ' 29' ' ' VAL . 41.0 t -112.53 127.76 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.74 128.98 56.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 169.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.4 p -133.85 146.93 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.428 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.04 155.76 39.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 110.372 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -73.12 127.28 32.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.62 1.51 57.64 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.647 -1.085 . . . . 0.0 114.903 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.43 179.55 6.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.418 1.609 . . . . 0.0 111.454 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -102.58 167.45 9.91 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.34 148.94 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 123.972 0.909 . . . . 0.0 110.664 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -101.85 142.9 32.45 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.612 0.765 . . . . 0.0 109.762 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.503 HG22 HG21 ' A' ' 19' ' ' VAL . 47.5 t -131.31 111.78 15.42 Favored Pre-proline 0 C--N 1.338 0.092 0 C-N-CA 122.945 0.498 . . . . 0.0 110.731 177.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.21 135.82 19.18 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.034 2.489 . . . . 0.0 109.961 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -148.39 147.26 29.01 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.973 0.509 . . . . 0.0 109.918 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.8 t -148.19 155.85 41.88 Favored 'General case' 0 N--CA 1.46 0.043 0 C-N-CA 123.683 0.793 . . . . 0.0 110.244 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -151.5 170.15 20.32 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 t -147.77 153.98 39.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.926 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -152.63 160.6 30.93 Favored Pre-proline 0 CA--C 1.53 0.182 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -174.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.61 151.77 52.66 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.409 2.74 . . . . 0.0 111.751 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.1 pt20 -90.24 36.07 0.87 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.141 0.576 . . . . 0.0 112.448 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -130.75 157.04 43.9 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.82 4.51 82.32 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.119 0.39 . . . . 0.0 112.157 -177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.422 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.7 p-90 -152.82 175.06 13.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.729 0.764 . . . . 0.0 110.686 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -144.44 162.96 35.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.74 -23.08 64.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -76.54 -15.2 59.93 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 122.084 -0.385 . . . . 0.0 111.788 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -98.47 119.64 61.08 Favored Pre-proline 0 N--CA 1.454 -0.273 0 CA-C-O 119.286 -0.387 . . . . 0.0 111.701 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.39 152.92 44.66 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.958 2.439 . . . . 0.0 110.48 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.16 152.35 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -135.63 129.05 32.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 173.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.21 156.43 16.33 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.574 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -150.27 146.63 26.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.89 145.96 44.26 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 173.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -141.77 153.28 44.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -80.15 142.0 35.19 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.196 0 O-C-N 121.915 -0.49 . . . . 0.0 110.922 -177.827 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.69 158.24 57.73 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.477 2.785 . . . . 0.0 110.21 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.5 m -79.22 -20.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.36 145.38 13.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.862 0.465 . . . . 0.0 109.854 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.796 0.332 . . . . 0.0 111.869 177.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.234 0.248 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -56.33 142.28 38.53 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 122.787 0.435 . . . . 0.0 111.413 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.17 62.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.662 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.33 -8.46 59.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.909 0.322 . . . . 0.0 110.928 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.44 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.1 p -122.53 5.75 9.55 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.51 119.77 9.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -175.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.27 -14.1 5.4 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.877 0.751 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.4 mtm105 -90.05 -29.31 18.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 118.615 1.207 . . . . 0.0 111.367 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.44 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.52 127.79 53.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -147.1 142.41 27.36 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.96 154.06 39.49 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.578 0.751 . . . . 0.0 109.643 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -132.74 171.81 13.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.122 0.969 . . . . 0.0 110.445 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -178.33 53.75 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 121.37 0.428 . . . . 0.0 112.751 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -88.82 132.79 34.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.57 -39.32 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 110.993 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.97 -4.14 57.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.709 0.404 . . . . 0.0 110.87 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.0 t -102.17 10.8 39.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.305 0.642 . . . . 0.0 111.185 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 56.38 33.84 23.11 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.218 0.607 . . . . 0.0 112.431 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -78.74 128.92 34.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.709 175.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -113.9 14.84 18.61 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.17 0.588 . . . . 0.0 110.921 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -53.2 150.22 6.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.306 0.642 . . . . 0.0 111.027 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp -135.14 150.27 50.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.47 ' HB2' HD11 ' A' ' 83' ' ' LEU . 17.0 t -125.62 134.49 51.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.949 0.5 . . . . 0.0 109.693 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.14 136.95 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 172.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -128.15 148.49 50.6 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.8 t0 48.55 53.31 12.33 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.82 143.71 36.03 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -138.94 162.78 34.01 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 124.311 1.044 . . . . 0.0 109.298 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.88 -15.71 33.66 Favored 'General case' 0 C--N 1.334 -0.079 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -173.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -83.39 -4.82 58.84 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.228 0.467 . . . . 0.0 111.911 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -91.83 -19.26 22.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.393 0.542 . . . . 0.0 109.585 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -67.36 137.03 55.68 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.27 -151.08 23.19 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -124.57 153.13 42.61 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.101 0.451 . . . . 0.0 110.955 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -140.51 161.03 38.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.253 1.021 . . . . 0.0 111.692 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -144.66 157.41 44.21 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -105.06 156.02 18.45 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -132.01 144.05 50.51 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 121.222 0.534 . . . . 0.0 111.223 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -119.06 130.11 55.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.779 1.232 . . . . 0.0 109.57 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -139.41 130.72 26.8 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 169.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.81 112.7 3.7 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.15 -124.77 36.9 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -173.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.5 m -83.98 -7.19 59.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.6 tpp -68.53 137.07 54.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.377 0.535 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -146.71 126.41 13.41 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 124.811 1.244 . . . . 0.0 109.828 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -161.62 155.2 21.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.8 p -138.46 132.87 31.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 123.29 0.636 . . . . 0.0 109.325 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -83.08 78.33 9.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -145.05 163.13 35.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p -75.3 157.69 33.98 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.36 -164.37 1.7 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.286 1.435 . . . . 0.0 109.684 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.99 -48.58 8.73 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.685 1.194 . . . . 0.0 113.064 -176.39 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.93 -15.83 2.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -76.43 139.93 41.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -135.71 141.39 44.91 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.41 0.684 . . . . 0.0 110.439 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -155.43 163.86 39.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -80.22 155.85 27.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.859 0.864 . . . . 0.0 111.583 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -137.18 173.7 11.4 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.43 1.092 . . . . 0.0 111.333 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.15 124.63 51.97 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.009 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m -102.63 131.62 49.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.3 148.42 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.0 155.38 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -176.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.07 142.87 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.201 0.6 . . . . 0.0 110.281 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.5 t -141.18 146.9 37.54 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.322 0.649 . . . . 0.0 112.397 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.81 150.31 37.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 121.864 -0.523 . . . . 0.0 111.058 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.88 -23.6 67.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.71 0.404 . . . . 0.0 109.93 173.799 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 172.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.27 133.08 54.79 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.8 84.27 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.916 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.85 129.92 39.15 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.419 1.109 . . . . 0.0 112.723 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.78 -8.46 79.79 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.038 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -100.43 104.91 16.34 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 117.713 0.756 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.94 161.1 38.82 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.184 0.516 . . . . 0.0 110.574 176.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -146.9 147.12 30.46 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -130.79 130.09 43.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.407 0.683 . . . . 0.0 109.78 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -152.55 160.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.064 0.545 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.24 127.09 27.7 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.73 -27.2 60.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.81 123.02 6.51 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.098 0.475 . . . . 0.0 109.875 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.517 HG21 HG22 ' A' ' 29' ' ' VAL . 42.1 t -111.13 128.49 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.279 1.3 p -114.79 128.78 56.49 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 169.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -133.71 146.77 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 123.271 0.629 . . . . 0.0 110.175 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.58 155.77 40.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.707 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -72.85 128.25 34.95 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.712 -0.618 . . . . 0.0 109.991 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.93 1.92 59.66 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.49 -1.172 . . . . 0.0 114.607 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.7 178.23 7.01 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.687 1.743 . . . . 0.0 111.278 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -100.99 169.14 9.16 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -155.05 155.4 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.51 1.124 . . . . 0.0 110.768 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -108.92 143.01 38.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.811 0.844 . . . . 0.0 110.059 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 19' ' ' VAL . 40.5 t -131.3 111.62 15.4 Favored Pre-proline 0 CA--C 1.527 0.084 0 C-N-CA 123.188 0.595 . . . . 0.0 110.97 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -74.82 135.72 19.81 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.709 2.273 . . . . 0.0 110.341 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.6 t -148.98 145.37 27.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.74 0.416 . . . . 0.0 110.413 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.8 m -145.26 153.47 41.34 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.157 0.983 . . . . 0.0 110.434 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -150.85 170.78 18.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.073 0.397 . . . . 0.0 111.934 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -148.7 154.86 40.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 111.151 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -152.82 160.94 30.39 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.904 0.882 . . . . 0.0 113.342 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.41 150.52 67.32 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.558 2.838 . . . . 0.0 112.034 176.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -87.99 36.12 0.76 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.612 . . . . 0.0 112.636 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.66 157.0 43.33 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.4 3.21 81.86 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.052 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.4 p-90 -150.25 175.75 11.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.954 0.877 . . . . 0.0 111.381 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.57 160.29 40.58 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -63.99 -19.86 65.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.337 0.655 . . . . 0.0 110.514 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.1 p -78.28 -16.13 58.08 Favored 'General case' 0 CA--C 1.528 0.101 0 O-C-N 122.314 -0.241 . . . . 0.0 111.488 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.33 120.54 60.78 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.338 0.655 . . . . 0.0 112.384 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.82 153.38 48.05 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.86 2.373 . . . . 0.0 110.527 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.0 152.69 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -136.42 131.22 33.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.494 172.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.0 156.98 15.59 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -150.23 147.81 28.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -118.06 147.26 43.42 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 122.902 0.481 . . . . 0.0 112.263 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -143.17 151.93 41.2 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 69.6 mtt-85 -79.42 141.46 36.81 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.24 0 O-C-N 122.229 -0.295 . . . . 0.0 110.947 -177.793 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -72.77 157.95 51.1 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.206 2.604 . . . . 0.0 109.44 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.79 -21.48 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 O-C-N 121.908 -0.495 . . . . 0.0 109.996 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.2 146.22 13.83 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.461 0.104 0 C-N-CA 122.603 0.361 . . . . 0.0 111.755 178.126 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.147 0.023 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -55.01 141.4 34.19 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.621 0.248 . . . . 0.0 111.496 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.45 62.57 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -85.46 -3.54 58.88 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.324 0.249 . . . . 0.0 111.235 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.2 p -127.75 6.18 6.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.3 120.08 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.27 -13.75 4.48 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.262 -0.743 . . . . 0.0 113.333 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -89.92 -29.42 18.54 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.52 1.16 . . . . 0.0 111.241 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.7 m-85 -106.27 127.32 53.16 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.09 142.15 28.25 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.98 154.39 39.33 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.201 0.6 . . . . 0.0 109.534 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.7 mt -131.99 172.94 11.73 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.003 0.921 . . . . 0.0 110.459 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.63 -177.65 51.29 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 122.944 0.306 . . . . 0.0 112.608 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.16 142.28 28.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.66 -40.8 79.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 122.967 0.507 . . . . 0.0 111.049 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -81.91 -9.32 59.62 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.589 0.356 . . . . 0.0 110.925 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.3 t -95.69 8.29 43.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.234 0.614 . . . . 0.0 111.346 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 57.7 34.21 24.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.607 0.763 . . . . 0.0 112.671 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -79.68 127.72 32.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.533 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.47 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.2 p -112.82 14.65 19.9 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 122.982 0.513 . . . . 0.0 111.073 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -53.31 150.49 6.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.303 0.641 . . . . 0.0 111.054 -176.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.8 tp -135.3 150.95 50.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.278 0.631 . . . . 0.0 110.454 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.4 t -126.48 136.81 53.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.277 0.631 . . . . 0.0 109.933 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.31 138.13 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.34 147.47 50.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.919 0.488 . . . . 0.0 109.876 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.7 t0 48.33 52.18 13.9 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.74 142.68 39.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -136.95 162.36 33.5 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.418 1.087 . . . . 0.0 109.287 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.61 -14.44 20.34 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -85.89 -2.24 58.06 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.248 0.477 . . . . 0.0 111.401 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -95.85 -17.28 21.25 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.05 135.8 51.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.73 -148.94 20.54 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.72 151.97 45.93 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.039 0.535 . . . . 0.0 111.028 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 72.1 m-85 -139.7 161.22 38.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.101 0.96 . . . . 0.0 111.232 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -144.55 158.04 43.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -104.54 158.96 16.13 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.437 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.9 ttt85 -138.2 149.99 46.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 121.836 -0.54 . . . . 0.0 110.746 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tp -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.553 1.141 . . . . 0.0 110.401 -175.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -138.73 131.14 28.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 169.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -153.78 111.83 3.57 Favored 'General case' 0 C--O 1.228 -0.071 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.4 -123.53 32.94 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 108.757 -1.737 . . . . 0.0 108.757 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -85.29 -6.81 59.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.1 tpp -68.35 136.82 53.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.2 0.455 . . . . 0.0 111.413 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -147.13 124.77 11.78 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.549 1.14 . . . . 0.0 109.116 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -160.36 137.35 9.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.437 ' HB3' HH11 ' A' ' 109' ' ' ARG . 77.3 p -113.4 131.93 55.81 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -84.22 78.36 9.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -146.37 162.66 37.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.3 p -77.97 156.21 30.33 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -140.13 -164.37 1.69 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.424 1.489 . . . . 0.0 110.135 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.89 -49.62 8.29 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.97 1.308 . . . . 0.0 112.982 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.89 -15.3 3.03 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.41 138.05 38.3 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -135.5 141.43 45.29 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 122.839 0.456 . . . . 0.0 110.052 -175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 t -154.2 161.47 41.82 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.08 155.61 30.49 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.482 0.713 . . . . 0.0 111.913 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -136.19 171.17 14.87 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.277 1.031 . . . . 0.0 111.16 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.5 tp -112.47 126.11 54.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.811 0.844 . . . . 0.0 109.739 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.5 m -103.39 131.71 50.25 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -109.25 148.13 13.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.95 154.97 46.32 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.0 t -134.96 142.87 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.042 0.537 . . . . 0.0 110.414 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.94 146.0 35.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.217 0.607 . . . . 0.0 112.581 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.07 149.68 41.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.986 -0.446 . . . . 0.0 110.997 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.18 -23.52 67.12 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.217 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 117.84 2.533 . . . . 0.0 117.84 172.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.57 132.73 54.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 172.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.67 11.46 85.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.786 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.83 130.72 42.08 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.431 1.115 . . . . 0.0 112.764 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.42 -9.14 78.12 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-O 119.444 -0.642 . . . . 0.0 111.975 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.09 105.27 16.89 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.919 0.859 . . . . 0.0 110.109 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.434 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.55 161.58 37.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.162 0.505 . . . . 0.0 110.423 176.3 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -147.24 147.11 30.1 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.852 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.434 HE22 HD23 ' A' ' 12' ' ' LEU . 22.3 mp0 -130.7 130.31 43.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.438 0.695 . . . . 0.0 109.809 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -152.75 160.39 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.832 0.453 . . . . 0.0 110.842 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.47 127.97 29.92 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.52 -26.47 55.26 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -155.45 123.82 5.91 Favored 'General case' 0 C--O 1.227 -0.079 0 C-N-CA 122.713 0.405 . . . . 0.0 109.917 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.497 HG21 HG22 ' A' ' 29' ' ' VAL . 42.8 t -112.65 123.24 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -107.59 127.35 53.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.22 145.57 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.791 0.436 . . . . 0.0 109.988 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -71.97 156.78 38.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.909 -0.494 . . . . 0.0 110.579 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -73.34 128.58 35.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.702 -0.624 . . . . 0.0 110.0 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.38 2.66 61.79 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.719 -1.045 . . . . 0.0 114.838 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.57 179.07 6.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.515 1.657 . . . . 0.0 111.674 175.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -102.08 168.13 9.58 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 p -154.04 153.91 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.361 1.064 . . . . 0.0 110.744 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -107.04 143.27 35.39 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.687 0.795 . . . . 0.0 109.64 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG22 HG21 ' A' ' 19' ' ' VAL . 28.1 t -131.52 111.26 15.05 Favored Pre-proline 0 C--O 1.231 0.123 0 C-N-CA 123.251 0.621 . . . . 0.0 110.937 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.07 135.73 19.34 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.794 2.329 . . . . 0.0 110.123 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.8 t -148.66 145.54 27.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.043 0.537 . . . . 0.0 110.393 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -146.06 152.9 40.07 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.079 0.951 . . . . 0.0 110.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -150.19 170.8 18.09 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 112.189 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -148.3 154.64 40.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.079 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -154.27 159.62 31.78 Favored Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.298 1.039 . . . . 0.0 113.061 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -59.51 154.21 49.52 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.435 2.757 . . . . 0.0 111.756 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.5 pt20 -82.8 13.25 3.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -91.93 151.16 20.65 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.49 5.03 88.93 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.553 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.491 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.76 174.2 12.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.302 1.051 . . . . 0.0 111.361 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -143.89 162.46 36.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.43 -21.92 62.83 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -75.56 -23.36 56.55 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.09 -0.381 . . . . 0.0 111.642 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -87.96 122.22 70.21 Favored Pre-proline 0 C--O 1.232 0.134 0 C-N-CA 122.72 0.408 . . . . 0.0 111.244 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.26 151.72 34.28 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.86 2.373 . . . . 0.0 110.746 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.98 151.13 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -136.03 130.86 34.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.413 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.2 156.16 15.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -151.56 149.23 28.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -119.29 147.81 43.87 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.119 0.568 . . . . 0.0 112.13 174.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -141.7 153.45 44.67 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -77.71 137.48 38.52 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 O-C-N 122.035 -0.416 . . . . 0.0 110.85 -177.752 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.16 154.61 61.97 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.139 2.56 . . . . 0.0 110.321 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -76.99 -19.92 14.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.26 147.85 14.66 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.333 -0.129 0 C-N-CA 122.565 0.346 . . . . 0.0 110.548 177.905 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 111.39 0.145 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -55.51 143.76 28.37 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.818 0.447 . . . . 0.0 111.679 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.14 61.98 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -82.7 -5.63 58.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.826 0.284 . . . . 0.0 110.91 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.9 p -125.3 5.29 7.75 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.71 120.97 11.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -174.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 -13.76 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.774 0.702 . . . . 0.0 112.974 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -91.65 -29.68 16.75 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.48 1.14 . . . . 0.0 111.281 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.27 127.59 53.35 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -147.02 142.09 27.1 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.82 154.56 39.46 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.08 0.552 . . . . 0.0 109.799 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.2 mt -131.04 170.92 13.84 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.14 0.976 . . . . 0.0 110.364 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.21 -176.64 54.0 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-O 121.189 0.327 . . . . 0.0 112.721 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -89.07 142.9 27.24 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.3 mt -68.45 -43.33 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.037 0.535 . . . . 0.0 111.089 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -81.24 -4.49 55.67 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.817 0.447 . . . . 0.0 110.864 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.4 t -99.63 8.14 44.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.489 0.715 . . . . 0.0 111.362 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 56.79 33.59 23.28 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.16 128.81 33.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.11 14.5 18.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.907 0.483 . . . . 0.0 111.083 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -53.51 151.1 6.07 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.29 0.636 . . . . 0.0 111.093 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.57 150.86 48.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.338 -173.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.3 t -126.75 136.12 52.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.79 136.99 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 96' ' ' ARG . 44.3 mtp180 -127.18 148.36 50.19 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.246 0.619 . . . . 0.0 109.888 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 45.6 t0 48.39 52.4 13.62 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.74 143.96 28.98 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -137.18 161.7 35.45 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.957 0.903 . . . . 0.0 109.394 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.71 -15.62 42.09 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -84.58 -4.67 59.1 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.369 0.531 . . . . 0.0 111.936 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -90.09 -19.77 23.95 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.77 134.89 50.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.973 0.509 . . . . 0.0 109.931 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.65 -148.44 19.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 t -126.45 153.34 45.18 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 122.899 0.48 . . . . 0.0 110.795 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.75 161.31 38.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.996 0.918 . . . . 0.0 111.442 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -143.01 155.99 44.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -102.04 158.81 15.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -138.77 148.69 44.16 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 118.288 0.495 . . . . 0.0 110.832 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.13 134.29 54.21 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.721 1.209 . . . . 0.0 110.133 -175.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.62 132.52 29.3 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -153.81 110.73 3.4 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.81 -124.23 35.98 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -172.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.7 t -82.38 -11.32 58.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.062 0.545 . . . . 0.0 111.694 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.1 tpp -66.25 136.68 56.2 Favored 'General case' 0 C--N 1.339 0.134 0 O-C-N 121.802 -0.561 . . . . 0.0 111.334 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -148.06 126.24 12.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.915 1.286 . . . . 0.0 109.29 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -161.69 127.73 3.7 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 111.121 175.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.0 m -96.75 130.41 44.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.179 0.591 . . . . 0.0 109.562 172.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.12 78.14 8.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -146.58 162.51 38.22 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.4 p -77.42 156.24 31.28 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -140.88 -164.55 1.76 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.456 1.502 . . . . 0.0 110.091 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.93 -48.84 8.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.128 1.371 . . . . 0.0 112.797 -176.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.98 -16.15 2.9 Favored 'General case' 0 C--N 1.34 0.156 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.94 138.64 38.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -137.13 141.47 42.26 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.941 0.496 . . . . 0.0 110.253 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -153.54 162.42 41.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.4 156.42 29.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.436 0.694 . . . . 0.0 111.75 -175.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -137.57 171.2 14.8 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.442 1.097 . . . . 0.0 110.869 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.4 tp -113.05 123.75 51.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.5 m -100.83 130.69 46.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 170.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.94 148.29 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.44 154.91 46.82 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.91 142.96 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.903 0.481 . . . . 0.0 110.405 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.08 146.17 35.13 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.106 0.562 . . . . 0.0 112.377 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.11 149.59 40.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 110.841 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.574 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.8 -18.8 65.55 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.422 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.331 1.1 t . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.24 130.93 48.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.442 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 77.92 14.35 82.43 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.868 -0.407 . . . . 0.0 113.004 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.17 129.87 41.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.405 1.103 . . . . 0.0 111.873 174.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.05 -7.9 81.08 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.428 -0.651 . . . . 0.0 112.108 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.89 105.04 15.33 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.693 0.747 . . . . 0.0 109.615 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.461 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.87 163.15 33.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.097 0.475 . . . . 0.0 110.74 177.261 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.12 145.1 28.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.883 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.461 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -124.32 127.26 47.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.872 0.469 . . . . 0.0 109.77 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.49 158.23 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.764 0.426 . . . . 0.0 111.757 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.71 133.21 46.96 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.845 0.858 . . . . 0.0 109.82 174.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -77.0 -31.07 56.2 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -154.17 127.48 8.49 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.981 0.513 . . . . 0.0 109.932 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.484 HG21 HG22 ' A' ' 29' ' ' VAL . 43.5 t -114.96 122.75 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -108.05 127.31 53.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 174.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.0 144.61 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.19 156.7 39.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.93 0.395 . . . . 0.0 110.563 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.11 129.87 39.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.507 -0.746 . . . . 0.0 110.326 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.72 1.74 63.49 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 118.686 -1.063 . . . . 0.0 114.824 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 178.73 6.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.491 1.646 . . . . 0.0 111.518 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -102.86 168.58 9.13 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -154.87 154.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 C-N-CA 124.274 1.029 . . . . 0.0 110.602 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -108.97 142.65 39.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.722 0.809 . . . . 0.0 109.819 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG22 HG21 ' A' ' 19' ' ' VAL . 42.3 t -131.26 111.88 15.5 Favored Pre-proline 0 CA--C 1.524 -0.048 0 C-N-CA 123.22 0.608 . . . . 0.0 110.578 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.28 135.48 18.63 Favored 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 122.895 2.397 . . . . 0.0 110.019 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.0 t -148.53 146.5 28.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.918 0.487 . . . . 0.0 109.815 178.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -147.17 155.85 42.48 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 123.278 0.631 . . . . 0.0 110.373 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -150.57 170.32 19.42 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t -147.9 153.74 39.48 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.35 159.39 31.99 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 124.062 0.945 . . . . 0.0 113.439 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.19 153.07 48.41 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.559 2.839 . . . . 0.0 111.797 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -86.01 18.64 2.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -101.55 156.39 17.51 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.05 3.99 88.71 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.516 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.9 p-90 -152.26 174.86 13.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.427 1.114 . . . . 0.0 111.306 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -144.7 163.25 34.55 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -60.85 -20.93 62.66 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.218 0.607 . . . . 0.0 112.432 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -75.0 -22.59 58.43 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.676 0.391 . . . . 0.0 111.429 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -92.11 122.61 64.66 Favored Pre-proline 0 N--CA 1.455 -0.2 0 C-N-CA 123.01 0.524 . . . . 0.0 112.3 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.28 152.4 39.44 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 123.091 2.527 . . . . 0.0 110.525 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.62 152.09 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -136.27 128.49 29.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.818 172.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.9 158.81 16.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -150.56 150.39 31.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -123.15 147.02 47.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.242 0.617 . . . . 0.0 112.089 174.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -146.82 156.1 42.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.494 0.718 . . . . 0.0 110.446 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 47.4 mtt180 -85.05 147.91 26.43 Favored 'General case' 0 CA--C 1.523 -0.092 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 O-C-N 122.043 -0.411 . . . . 0.0 111.077 -178.063 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.55 156.7 63.18 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.187 2.592 . . . . 0.0 110.111 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.33 -20.73 14.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.03 146.64 12.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.828 0.451 . . . . 0.0 110.167 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.462 0.164 0 C-N-CA 122.564 0.345 . . . . 0.0 111.157 178.771 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.233 0.19 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -56.26 139.54 47.72 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-O 120.688 0.28 . . . . 0.0 111.123 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.95 -19.78 63.36 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -92.68 -4.7 52.81 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 122.257 -0.277 . . . . 0.0 111.249 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.419 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.2 p -119.34 3.75 11.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.72 119.64 9.1 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.4 -16.89 3.52 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.604 0.621 . . . . 0.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -86.41 -31.26 21.54 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 118.097 0.948 . . . . 0.0 111.242 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 8.1 m-85 -105.4 127.45 52.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.95 141.23 26.26 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.95 154.26 39.43 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.392 0.677 . . . . 0.0 109.307 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.0 171.97 12.94 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.811 0.845 . . . . 0.0 110.211 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.4 -178.05 52.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 122.791 0.234 . . . . 0.0 112.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -86.83 139.68 30.44 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.37 -37.38 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.355 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -86.07 15.26 5.23 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.283 0.633 . . . . 0.0 111.563 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -131.64 14.02 4.92 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.015 0.526 . . . . 0.0 110.885 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.4 34.8 24.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.967 0.907 . . . . 0.0 113.101 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.86 126.49 30.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.035 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.461 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -111.74 13.83 21.11 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.095 0.558 . . . . 0.0 110.998 175.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.7 m -53.54 150.0 7.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.382 0.673 . . . . 0.0 110.782 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.4 tp -136.29 149.83 48.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.466 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.494 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.0 t -125.89 135.64 52.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.064 0.546 . . . . 0.0 109.748 173.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.9 mp -107.74 137.05 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 171.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -127.64 148.1 50.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.909 0.483 . . . . 0.0 109.725 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.7 t0 47.54 53.43 11.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.65 141.88 46.85 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -138.51 163.34 32.23 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.362 1.065 . . . . 0.0 109.733 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.76 -16.03 24.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -81.71 -5.32 58.02 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.814 0.445 . . . . 0.0 111.485 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -94.22 -20.04 20.19 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.005 0.522 . . . . 0.0 109.973 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -68.33 134.28 50.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.785 0.434 . . . . 0.0 110.406 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.44 -149.39 20.9 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.6 t -124.04 152.94 42.05 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.784 0.433 . . . . 0.0 110.6 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 51.6 m-85 -137.69 155.86 48.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.594 1.158 . . . . 0.0 112.786 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -142.81 155.01 44.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.252 22.6 t80 -103.78 157.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -137.16 150.61 48.05 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.666 0.386 . . . . 0.0 110.518 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -127.76 132.52 49.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.411 1.084 . . . . 0.0 110.266 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -139.47 131.96 28.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 169.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -153.78 112.37 3.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.485 0.714 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.26 -125.26 38.53 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -172.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -83.45 -8.57 59.35 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.077 0.551 . . . . 0.0 112.454 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.7 tpp -69.07 137.09 53.25 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 118.395 0.543 . . . . 0.0 110.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -146.02 128.77 16.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.131 1.372 . . . . 0.0 108.58 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.442 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 58.4 t-105 -159.55 145.21 15.86 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.181 0.446 . . . . 0.0 110.386 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -122.29 130.87 53.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.302 0.641 . . . . 0.0 109.655 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -86.53 78.71 9.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -146.12 145.36 30.48 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.586 0.355 . . . . 0.0 111.016 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.3 t -67.16 142.01 57.18 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.612 0.765 . . . . 0.0 112.002 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -139.3 -163.69 1.53 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.429 1.091 . . . . 0.0 111.24 -176.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -42.83 -48.65 5.77 Favored 'General case' 0 C--O 1.23 0.047 0 C-N-CA 125.37 1.468 . . . . 0.0 113.239 -175.777 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -134.94 -12.25 2.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -82.24 141.03 33.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -137.36 139.63 40.92 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 122.56 0.344 . . . . 0.0 110.755 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.14 163.73 39.26 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.561 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -73.72 154.71 39.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.129 0.972 . . . . 0.0 111.433 -174.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.65 167.46 21.36 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.379 1.072 . . . . 0.0 110.666 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.37 122.85 48.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.586 0.754 . . . . 0.0 109.767 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.2 m -99.21 130.42 45.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.91 148.0 13.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 172.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.85 154.95 46.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.24 142.91 40.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.806 0.442 . . . . 0.0 110.221 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.67 144.63 32.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.295 0.638 . . . . 0.0 112.324 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.67 151.45 42.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.11 -0.369 . . . . 0.0 110.771 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.15 -25.53 68.13 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.1 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 175.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.36 133.75 55.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 9.38 86.09 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.041 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.83 132.31 52.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.334 1.067 . . . . 0.0 110.752 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.37 -8.94 78.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.97 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.63 102.72 13.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.993 0.896 . . . . 0.0 110.273 175.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.492 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -139.45 160.21 40.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.188 0.518 . . . . 0.0 110.625 177.84 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.21 146.8 30.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.926 -174.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.492 HE22 HD23 ' A' ' 12' ' ' LEU . 22.7 mp0 -127.22 124.52 39.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.501 0.72 . . . . 0.0 109.74 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.42 158.39 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 122.931 0.493 . . . . 0.0 111.393 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.97 129.29 39.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.581 0.753 . . . . 0.0 109.804 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.5 -27.31 58.72 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.05 124.66 7.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG21 HG22 ' A' ' 29' ' ' VAL . 38.3 t -114.61 126.79 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.288 1.2 p -112.22 127.07 55.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 170.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -131.86 147.19 32.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.223 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.6 156.25 39.61 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.026 0.441 . . . . 0.0 110.451 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -74.01 128.15 34.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.732 -0.605 . . . . 0.0 109.941 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.83 3.43 59.31 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.672 -1.071 . . . . 0.0 114.911 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.09 -178.58 5.03 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.346 1.573 . . . . 0.0 111.673 175.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -104.53 167.61 9.63 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.75 150.22 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.524 1.13 . . . . 0.0 110.642 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -102.88 142.79 33.39 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.025 0.93 . . . . 0.0 109.882 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG22 HG21 ' A' ' 19' ' ' VAL . 51.6 t -131.59 112.96 15.29 Favored Pre-proline 0 N--CA 1.458 -0.069 0 C-N-CA 122.903 0.481 . . . . 0.0 110.522 176.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.02 136.46 18.41 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.892 2.395 . . . . 0.0 110.07 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.0 t -149.84 142.44 24.49 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.973 0.509 . . . . 0.0 110.221 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -144.48 155.6 43.79 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 123.704 0.802 . . . . 0.0 109.978 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -150.73 173.23 14.42 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 121.025 0.441 . . . . 0.0 111.944 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -148.99 154.53 39.49 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.989 0.516 . . . . 0.0 111.046 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -153.72 160.63 30.71 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 124.227 1.011 . . . . 0.0 113.635 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.72 153.4 56.3 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.293 2.662 . . . . 0.0 111.613 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.8 pt20 -82.51 13.07 3.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.09 151.25 20.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.78 4.61 88.72 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.532 -0.593 . . . . 0.0 113.646 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.53 175.11 11.43 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 118.463 1.131 . . . . 0.0 111.191 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -144.91 163.2 34.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -60.8 -22.6 64.29 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t -75.03 -20.23 59.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.665 0.386 . . . . 0.0 111.539 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -92.63 121.69 65.66 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 122.786 0.434 . . . . 0.0 112.03 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.43 153.15 39.59 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 122.83 2.353 . . . . 0.0 110.267 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.92 152.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -136.36 131.62 34.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.34 157.66 15.79 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.477 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -150.53 152.24 33.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.721 0.809 . . . . 0.0 109.994 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -131.86 146.49 52.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 122.974 0.51 . . . . 0.0 112.269 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -149.41 157.42 43.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.219 -1.401 . . . . 0.0 107.219 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 54.0 mtt85 -80.53 154.06 27.75 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.531 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.01 159.76 49.36 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.732 2.955 . . . . 0.0 110.334 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -77.98 -21.61 13.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 147.95 13.69 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.769 0.428 . . . . 0.0 110.432 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.456 -0.152 0 C-N-CA 122.385 0.274 . . . . 0.0 111.221 178.053 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 CA--C 1.527 0.077 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -55.96 141.24 40.32 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.074 0.464 . . . . 0.0 111.082 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.38 -20.59 62.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.597 0.359 . . . . 0.0 111.716 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -90.3 -5.26 56.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.708 0.403 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.9 p -122.73 5.57 9.45 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.16 119.17 8.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.1 -15.77 3.92 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.791 0.71 . . . . 0.0 112.862 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -87.02 -28.47 22.6 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 118.393 1.096 . . . . 0.0 111.171 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.9 m-85 -110.92 127.49 55.49 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.81 142.6 27.88 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.96 154.19 39.45 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.553 0.741 . . . . 0.0 109.525 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.54 174.5 10.2 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.966 0.906 . . . . 0.0 110.042 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.45 -176.83 54.56 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 122.9 0.286 . . . . 0.0 112.871 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.22 132.57 36.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.86 -37.37 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.662 0.785 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -85.95 10.96 12.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.05 0.54 . . . . 0.0 111.494 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -125.79 15.82 8.06 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 110.824 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.01 34.23 23.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.663 0.785 . . . . 0.0 113.107 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.68 128.84 34.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.817 -0.552 . . . . 0.0 112.487 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.459 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.79 13.7 17.28 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.101 0.56 . . . . 0.0 111.27 175.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.49 149.9 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.401 0.68 . . . . 0.0 111.276 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 tp -135.33 149.72 49.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.221 -173.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.479 ' HB2' HD11 ' A' ' 83' ' ' LEU . 16.5 t -124.19 135.4 53.44 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 123.177 0.591 . . . . 0.0 109.423 173.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -109.37 135.79 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -128.87 152.96 47.94 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.748 0.819 . . . . 0.0 109.074 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.3 41.32 30.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.81 144.56 27.22 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.134 0.574 . . . . 0.0 112.372 -171.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -140.41 161.25 38.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 124.908 1.283 . . . . 0.0 109.38 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -59.86 -14.68 16.33 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -83.76 -3.59 57.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.901 0.48 . . . . 0.0 111.766 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -95.16 -19.52 20.01 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -66.5 134.23 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.06 -147.79 17.29 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 t -124.68 154.21 41.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.111 0.564 . . . . 0.0 111.046 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.552 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 39.7 m-85 -138.81 155.59 48.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.76 1.224 . . . . 0.0 112.831 -175.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -141.14 152.87 45.05 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -100.92 160.99 13.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -139.1 145.89 40.03 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.067 0.46 . . . . 0.0 111.34 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.6 tp -118.15 134.18 55.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.971 1.308 . . . . 0.0 109.879 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -140.11 131.12 26.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.96 110.76 3.37 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.23 -123.24 32.47 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -173.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.0 t -83.3 -8.94 59.36 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.011 0.524 . . . . 0.0 111.792 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.7 tpp -68.74 136.59 53.07 Favored 'General case' 0 C--N 1.339 0.109 0 O-C-N 121.682 -0.636 . . . . 0.0 111.198 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -147.91 127.27 13.09 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.966 1.306 . . . . 0.0 109.357 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -161.81 133.78 5.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 118.499 0.591 . . . . 0.0 111.26 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.439 ' HB2' ' HE2' ' A' ' 120' ' ' LYS . 28.9 m -101.34 131.6 47.32 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.306 0.642 . . . . 0.0 109.533 170.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -83.09 78.14 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' A' ' 118' ' ' SER . 58.6 pttt -145.95 146.18 30.94 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.73 0.812 . . . . 0.0 110.113 -176.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -70.24 152.73 43.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.994 0.518 . . . . 0.0 111.365 -176.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -142.4 -156.37 0.68 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.006 0.922 . . . . 0.0 110.568 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -45.61 -47.48 14.7 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.614 1.566 . . . . 0.0 112.519 -176.326 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.17 -14.67 1.76 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -77.73 143.3 38.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -138.92 140.99 38.49 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 123.258 0.623 . . . . 0.0 110.666 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.7 t -156.89 165.03 37.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.498 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -72.73 154.93 40.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.405 1.082 . . . . 0.0 111.458 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.27 168.33 19.96 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.259 1.024 . . . . 0.0 110.401 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.7 tp -115.87 122.35 45.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.347 0.659 . . . . 0.0 110.038 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.3 m -97.59 130.39 44.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -107.0 148.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.067 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.44 155.22 45.07 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -175.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.9 t -135.66 142.95 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.896 0.478 . . . . 0.0 109.743 -176.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.93 145.89 35.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.038 0.535 . . . . 0.0 112.319 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.07 150.85 38.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.097 0.475 . . . . 0.0 110.732 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.2 -24.31 67.63 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.074 174.078 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 172.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.13 134.0 55.5 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 172.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 11.64 85.16 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.902 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -55.35 131.15 45.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.674 1.237 . . . . 0.0 112.904 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.92 -9.31 77.13 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-O 119.407 -0.663 . . . . 0.0 111.799 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.44 105.1 16.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.943 0.871 . . . . 0.0 110.208 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.426 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.7 162.13 36.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.225 0.536 . . . . 0.0 110.868 176.499 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -147.81 147.15 29.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.058 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.426 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.92 129.89 42.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.46 0.704 . . . . 0.0 109.625 178.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 p -152.79 160.23 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.124 0.57 . . . . 0.0 110.66 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.55 127.73 29.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.86 -27.25 60.18 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -154.94 123.82 6.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.497 HG21 HG22 ' A' ' 29' ' ' VAL . 40.5 t -112.56 129.27 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.283 1.3 p -115.13 128.57 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 169.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.47 146.89 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.027 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.301 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.86 155.81 39.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.953 -0.467 . . . . 0.0 110.708 176.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -74.05 127.44 32.9 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.681 -0.637 . . . . 0.0 109.693 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.3 1.62 55.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.025 -0.875 . . . . 0.0 114.71 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.04 179.37 6.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 119.193 1.496 . . . . 0.0 111.514 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -102.87 169.61 8.49 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -155.32 153.27 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 124.373 1.069 . . . . 0.0 110.78 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -106.15 143.4 34.33 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.85 0.86 . . . . 0.0 109.693 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG22 HG21 ' A' ' 19' ' ' VAL . 40.0 t -132.21 112.33 14.38 Favored Pre-proline 0 CA--C 1.529 0.159 0 C-N-CA 123.102 0.561 . . . . 0.0 110.926 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.16 136.26 19.85 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.834 2.356 . . . . 0.0 110.189 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.5 t -149.18 145.26 27.07 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.691 0.396 . . . . 0.0 110.236 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.2 m -145.54 152.98 40.59 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.87 0.868 . . . . 0.0 110.326 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -150.13 171.77 16.36 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.82 -0.55 . . . . 0.0 112.055 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.26 153.98 39.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.074 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -153.75 159.64 31.84 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.886 0.874 . . . . 0.0 113.238 -174.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.57 151.48 62.13 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.14 2.56 . . . . 0.0 111.286 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.484 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.4 pt20 -81.64 13.77 2.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -92.52 149.86 21.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.28 5.15 87.53 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.666 -0.519 . . . . 0.0 113.364 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.484 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.56 173.55 13.04 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.468 1.134 . . . . 0.0 111.423 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.9 163.01 34.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -60.26 -21.41 61.84 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.2 t -76.19 -17.91 59.31 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.888 -0.507 . . . . 0.0 111.561 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -96.49 119.14 64.6 Favored Pre-proline 0 C--O 1.233 0.205 0 C-N-CA 122.892 0.477 . . . . 0.0 111.938 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.4 154.08 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.756 2.304 . . . . 0.0 110.485 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.57 152.96 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -136.26 127.15 27.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.449 171.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.72 158.9 15.56 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -151.67 147.85 27.23 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -118.02 148.05 42.62 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 122.906 0.482 . . . . 0.0 112.174 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -143.05 151.82 41.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -79.51 141.5 36.64 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.26 0 O-C-N 121.991 -0.443 . . . . 0.0 110.829 -178.821 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.62 155.87 58.44 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.448 2.765 . . . . 0.0 109.816 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -79.15 -20.62 12.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 O-C-N 121.949 -0.47 . . . . 0.0 110.14 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.11 146.57 14.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.741 0.416 . . . . 0.0 109.992 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.46 0.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.74 178.761 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 111.135 0.05 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -53.88 141.79 26.33 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.838 0.351 . . . . 0.0 111.596 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.42 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -81.75 -10.33 59.39 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.022 0.374 . . . . 0.0 110.66 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.427 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -119.39 4.98 11.17 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.34 119.99 9.56 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -13.15 5.43 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.75 0.691 . . . . 0.0 113.368 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -91.97 -28.31 17.31 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 118.488 1.144 . . . . 0.0 111.46 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.427 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -107.3 127.58 53.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 176.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.67 141.61 27.02 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.8 154.57 39.47 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.351 0.66 . . . . 0.0 109.434 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -132.79 173.16 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.156 0.983 . . . . 0.0 110.361 -178.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -178.32 52.91 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 121.413 0.452 . . . . 0.0 113.206 175.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.27 131.85 34.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.59 -38.61 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.607 0.763 . . . . 0.0 110.951 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -83.04 -7.4 59.66 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.252 0.221 . . . . 0.0 111.008 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -98.15 10.4 40.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.297 0.639 . . . . 0.0 111.354 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 56.51 34.72 24.82 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.345 0.658 . . . . 0.0 112.248 -176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -79.23 126.8 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.157 -0.339 . . . . 0.0 111.484 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.465 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 p -112.26 14.45 20.51 Favored 'General case' 0 N--CA 1.46 0.053 0 C-N-CA 123.313 0.645 . . . . 0.0 110.578 175.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -53.41 150.37 6.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.377 0.671 . . . . 0.0 110.822 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.6 tp -135.57 150.91 49.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.225 0.61 . . . . 0.0 110.544 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.478 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.2 t -126.49 134.84 50.82 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.296 0.638 . . . . 0.0 109.594 172.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.83 136.9 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -126.34 148.17 49.61 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 48.43 49.76 17.67 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 140.0 44.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.459 0.304 . . . . 0.0 111.784 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -137.5 166.26 24.3 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.465 0.706 . . . . 0.0 110.252 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.58 -16.47 25.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -171.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -82.09 -6.31 59.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.3 0.5 . . . . 0.0 111.531 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -92.88 -17.05 24.52 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 118.336 0.516 . . . . 0.0 110.282 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.11 137.14 53.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.63 -149.72 21.62 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -124.93 152.45 44.09 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.654 0.382 . . . . 0.0 110.433 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.08 160.92 38.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.313 1.045 . . . . 0.0 111.642 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -143.64 156.86 44.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -101.65 158.52 16.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -141.04 152.08 44.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.819 -0.551 . . . . 0.0 110.615 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -130.07 135.36 48.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.849 0.859 . . . . 0.0 111.658 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -140.41 133.9 30.03 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.543 0.737 . . . . 0.0 109.274 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.69 111.26 3.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.15 41.29 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.6 m -82.55 -6.98 59.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.159 0.584 . . . . 0.0 112.493 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 40.0 tpp -68.28 135.9 52.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.5 0.591 . . . . 0.0 111.48 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -145.81 123.22 11.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.454 1.102 . . . . 0.0 109.606 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -159.86 142.32 13.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 117.997 0.362 . . . . 0.0 110.416 173.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.3 t -119.62 130.31 55.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.778 0.831 . . . . 0.0 109.765 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -83.85 78.41 9.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -148.22 157.69 43.64 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.9 p -74.75 160.79 30.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.435 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 15.3 mp0 -146.07 -161.99 1.43 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.931 1.293 . . . . 0.0 110.201 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.435 ' H ' ' HB3' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -43.66 -49.97 7.6 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 125.515 1.526 . . . . 0.0 112.843 -176.451 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.76 -14.61 3.16 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -79.89 139.23 37.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.4 141.25 41.69 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 122.626 0.371 . . . . 0.0 110.398 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -154.54 161.35 41.68 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.2 156.58 31.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.502 0.721 . . . . 0.0 111.844 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -136.9 172.02 13.64 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.536 1.135 . . . . 0.0 111.162 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.0 tp -114.84 122.57 46.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.853 0.861 . . . . 0.0 110.073 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.0 m -98.57 131.39 44.82 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.4 147.95 13.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 122.651 0.38 . . . . 0.0 109.994 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.22 155.11 46.08 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -134.28 143.23 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 123.006 0.522 . . . . 0.0 110.047 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.55 145.81 35.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.058 0.543 . . . . 0.0 112.426 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.72 149.89 39.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.016 -0.427 . . . . 0.0 111.045 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.31 -20.44 66.09 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.62 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 173.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.37 133.38 55.67 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.406 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 76.89 12.03 84.96 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.836 -0.424 . . . . 0.0 113.008 -177.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.8 129.2 38.47 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.288 1.044 . . . . 0.0 112.457 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.7 80.53 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.132 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -101.63 104.13 14.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 117.776 0.788 . . . . 0.0 110.188 175.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.25 162.08 36.34 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.515 177.095 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -147.27 146.76 29.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.386 0.675 . . . . 0.0 109.954 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.455 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.15 131.7 45.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.94 0.496 . . . . 0.0 109.734 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.77 160.2 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.936 0.494 . . . . 0.0 110.572 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -54.87 127.56 29.16 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.65 -28.0 60.67 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -173.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.4 123.69 7.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.496 HG21 HG22 ' A' ' 29' ' ' VAL . 45.0 t -111.89 128.99 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.298 1.1 p -115.35 129.27 56.55 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.83 147.6 30.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.507 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.29 154.91 40.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.002 0.43 . . . . 0.0 110.549 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -72.03 127.41 32.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.707 -0.621 . . . . 0.0 110.196 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.81 1.71 58.61 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.799 -1.0 . . . . 0.0 115.082 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.69 179.09 6.37 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.424 1.612 . . . . 0.0 111.777 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.1 p -101.22 168.64 9.43 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.93 155.34 5.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 124.56 1.144 . . . . 0.0 110.565 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -108.59 142.89 38.38 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.994 0.918 . . . . 0.0 109.703 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.496 HG22 HG21 ' A' ' 19' ' ' VAL . 40.3 t -131.7 112.17 14.99 Favored Pre-proline 0 C--O 1.231 0.124 0 C-N-CA 122.994 0.518 . . . . 0.0 111.04 177.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.37 136.42 19.65 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.59 2.193 . . . . 0.0 110.256 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -149.05 148.03 29.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.158 0.583 . . . . 0.0 110.184 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -148.11 155.53 41.55 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 123.595 0.758 . . . . 0.0 110.415 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -151.81 169.14 22.97 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -146.64 153.06 39.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -153.86 160.11 31.3 Favored Pre-proline 0 C--O 1.233 0.214 0 C-N-CA 124.078 0.951 . . . . 0.0 113.477 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -58.72 152.43 56.6 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.294 2.663 . . . . 0.0 111.486 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.5 pt20 -82.17 13.68 3.32 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -92.81 149.87 21.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.88 5.3 88.03 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.399 -0.667 . . . . 0.0 113.284 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.493 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.94 174.33 12.37 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 118.313 1.056 . . . . 0.0 110.651 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -146.03 164.48 31.98 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.4 -23.42 62.59 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -76.21 -14.93 60.13 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.13 119.23 62.44 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 122.985 0.514 . . . . 0.0 111.653 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.63 152.03 37.46 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 122.963 2.442 . . . . 0.0 110.476 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.11 152.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -136.27 128.22 29.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.053 -0.404 . . . . 0.0 110.578 172.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.3 158.34 16.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -150.72 147.64 27.58 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -118.51 148.38 42.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -143.57 152.91 42.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 75.5 mtt-85 -79.35 141.56 36.83 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -177.71 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.73 154.71 59.13 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.314 2.676 . . . . 0.0 110.003 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.3 m -77.64 -20.87 13.93 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.067 0 O-C-N 122.14 -0.35 . . . . 0.0 110.132 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.34 147.22 14.17 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.784 0.326 . . . . 0.0 111.835 178.591 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.233 0.232 0 N-CA-C 110.771 -0.085 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.34 138.62 38.98 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.727 0.299 . . . . 0.0 111.296 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.83 -23.75 63.35 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.557 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -82.41 -7.31 59.64 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.507 -0.282 . . . . 0.0 111.095 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -124.32 5.98 8.41 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.73 122.25 14.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.2 -14.31 4.03 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.595 -0.559 . . . . 0.0 112.929 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -90.46 -31.48 16.78 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.445 1.122 . . . . 0.0 111.429 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -104.67 126.62 51.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.59 141.35 26.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.67 154.2 39.79 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.492 0.717 . . . . 0.0 109.584 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.9 mt -131.35 174.18 10.32 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.177 0.991 . . . . 0.0 110.131 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.33 -177.72 50.54 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-O 121.073 0.263 . . . . 0.0 112.8 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -87.19 141.1 28.9 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.26 -41.02 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.693 0.397 . . . . 0.0 110.83 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -81.2 -8.66 59.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.737 0.415 . . . . 0.0 110.843 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.5 t -94.72 7.3 46.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.308 0.643 . . . . 0.0 111.638 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 57.21 33.97 24.11 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.312 0.645 . . . . 0.0 112.452 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -79.35 126.64 31.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.182 -0.324 . . . . 0.0 111.097 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.32 14.33 22.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.834 0.454 . . . . 0.0 110.916 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.4 m -52.71 150.52 5.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.425 0.69 . . . . 0.0 111.295 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.14 151.3 49.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.532 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.0 t -127.33 135.0 49.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.165 0.586 . . . . 0.0 109.733 172.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.4 138.3 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.96 150.03 50.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.1 t0 47.59 53.21 11.47 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.14 143.77 37.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -138.26 161.47 36.8 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 124.202 1.001 . . . . 0.0 109.337 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -60.41 -14.34 18.46 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -174.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -85.42 -3.3 58.8 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.079 0.4 . . . . 0.0 111.542 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -93.85 -17.58 22.91 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -69.57 136.03 50.78 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.19 -146.99 16.43 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -129.56 153.02 48.45 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.546 0.338 . . . . 0.0 110.574 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 76.2 m-85 -139.99 161.32 37.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.382 1.073 . . . . 0.0 111.287 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -144.17 158.52 43.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.253 25.4 t80 -105.42 158.94 16.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -138.42 151.1 47.15 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.032 0.533 . . . . 0.0 110.756 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -128.36 132.84 48.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.48 1.112 . . . . 0.0 110.526 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -139.69 132.39 28.98 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 169.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.87 112.6 3.66 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.18 -124.79 37.01 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.2 t -82.63 -12.84 57.37 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.905 0.482 . . . . 0.0 111.929 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.5 tpp -65.38 136.23 56.26 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -145.53 127.25 15.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.008 1.323 . . . . 0.0 108.888 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.406 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.5 t-105 -159.41 150.16 19.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.84 0.291 . . . . 0.0 110.343 174.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 t -128.62 128.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.139 0.576 . . . . 0.0 109.615 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -84.94 78.53 9.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -173.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.22 149.24 33.55 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.799 0.44 . . . . 0.0 110.489 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -64.06 149.81 46.74 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 122.817 0.447 . . . . 0.0 111.412 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -144.55 -160.49 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.415 0.686 . . . . 0.0 109.694 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.439 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -48.05 -49.46 31.34 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.826 0.85 . . . . 0.0 112.593 -174.109 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.72 -18.18 2.78 Favored 'General case' 0 C--N 1.335 -0.054 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -75.25 143.16 43.19 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -138.83 140.98 38.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.412 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -155.75 161.99 40.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -77.44 156.6 31.0 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.756 0.822 . . . . 0.0 112.118 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -136.32 171.54 14.33 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.453 1.101 . . . . 0.0 111.065 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.2 tp -113.39 122.2 46.64 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.691 0.797 . . . . 0.0 110.006 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -99.04 130.73 45.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.45 148.38 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.529 0.331 . . . . 0.0 110.2 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.06 155.36 46.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.66 143.0 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.276 0.63 . . . . 0.0 110.091 -176.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.52 146.88 36.92 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.048 0.539 . . . . 0.0 112.452 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.76 150.87 37.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.621 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.583 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.25 -23.4 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 174.102 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.322 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 172.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -57.93 133.65 55.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 172.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.42 11.67 85.28 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 119.642 -0.532 . . . . 0.0 113.074 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.15 131.06 46.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.546 1.173 . . . . 0.0 112.29 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.66 -7.8 79.78 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.658 -0.523 . . . . 0.0 112.03 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.54 103.54 14.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.856 0.828 . . . . 0.0 110.156 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -140.0 160.08 40.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.082 0.468 . . . . 0.0 110.474 177.058 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.9 147.23 30.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.556 0.742 . . . . 0.0 109.948 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.455 HE22 HD23 ' A' ' 12' ' ' LEU . 22.3 mp0 -127.84 125.72 40.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.329 0.652 . . . . 0.0 109.713 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -151.97 158.77 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 122.409 0.284 . . . . 0.0 111.519 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -53.72 132.26 40.75 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.191 0.996 . . . . 0.0 110.266 176.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -75.65 -29.95 59.28 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 tp -155.98 121.38 4.85 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.06 0.391 . . . . 0.0 110.271 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG21 HG22 ' A' ' 29' ' ' VAL . 43.1 t -108.57 123.44 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -107.48 127.78 53.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -135.1 144.95 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.44 156.25 39.68 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -72.83 130.55 40.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.684 -0.635 . . . . 0.0 110.002 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.98 1.75 65.03 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.694 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.75 178.82 6.36 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.369 1.584 . . . . 0.0 111.306 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -103.14 168.34 9.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -155.01 149.37 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.339 1.056 . . . . 0.0 110.796 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -104.4 141.64 35.99 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.848 0.859 . . . . 0.0 109.753 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.475 HG22 HG21 ' A' ' 19' ' ' VAL . 41.2 t -130.35 111.89 16.69 Favored Pre-proline 0 N--CA 1.456 -0.162 0 C-N-CA 123.125 0.57 . . . . 0.0 110.711 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.86 136.3 20.54 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.942 2.428 . . . . 0.0 110.082 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.4 t -149.47 143.49 25.7 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 122.727 0.411 . . . . 0.0 110.444 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -143.65 154.17 43.25 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.811 0.844 . . . . 0.0 110.404 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -151.24 171.45 17.4 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.978 -0.451 . . . . 0.0 112.164 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -148.0 154.53 40.42 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.539 0.336 . . . . 0.0 111.247 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -152.64 160.48 31.1 Favored Pre-proline 0 CA--C 1.532 0.256 0 C-N-CA 124.14 0.976 . . . . 0.0 113.37 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.25 151.1 62.16 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.517 2.811 . . . . 0.0 111.892 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.1 pt20 -88.45 35.81 0.77 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.196 0.598 . . . . 0.0 112.562 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.82 157.16 42.98 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.17 3.44 84.94 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.8 p-90 -151.64 175.29 12.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.65 0.725 . . . . 0.0 110.989 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -145.12 164.07 32.38 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -61.41 -21.81 64.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -76.28 -16.06 59.87 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.689 0.396 . . . . 0.0 111.817 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -98.8 121.87 54.74 Favored Pre-proline 0 CA--C 1.528 0.099 0 C-N-CA 122.882 0.473 . . . . 0.0 111.645 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.95 152.19 40.73 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.05 2.5 . . . . 0.0 110.332 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.86 152.31 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -136.07 127.88 29.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.264 -0.272 . . . . 0.0 110.364 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.26 157.14 15.66 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -150.5 147.15 27.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -117.07 146.97 42.77 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -144.59 154.7 43.12 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.397 0.679 . . . . 0.0 112.097 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.6 mtm180 -87.13 144.93 26.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 177.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.227 0 O-C-N 122.162 -0.336 . . . . 0.0 111.034 -177.251 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.4 155.45 60.0 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.392 2.728 . . . . 0.0 109.786 176.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -78.08 -20.0 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.012 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 149.11 12.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.788 0.435 . . . . 0.0 110.092 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 CA--C 1.526 0.057 0 C-N-CA 122.761 0.424 . . . . 0.0 111.629 178.033 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -54.02 139.21 35.27 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.619 0.247 . . . . 0.0 111.034 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.08 63.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -90.27 -1.0 57.88 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.147 -0.346 . . . . 0.0 111.507 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.1 p -125.39 3.7 7.72 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.86 121.77 13.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.53 -11.47 9.63 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.147 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -94.54 -33.44 13.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.487 1.144 . . . . 0.0 111.197 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -103.95 125.27 50.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.22 142.78 28.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.88 154.45 39.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.238 0.615 . . . . 0.0 109.483 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.9 mt -131.84 173.14 11.48 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.876 0.87 . . . . 0.0 110.161 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.64 -177.85 53.59 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 121.329 0.405 . . . . 0.0 112.968 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.43 132.14 34.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -62.54 -38.8 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.419 0.688 . . . . 0.0 111.31 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -83.48 -5.7 59.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.604 0.361 . . . . 0.0 111.078 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.5 t -98.33 9.48 42.96 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.54 0.736 . . . . 0.0 111.167 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.49 34.68 24.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.278 0.631 . . . . 0.0 112.319 -175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -79.0 127.65 32.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.922 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.471 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.08 14.73 18.36 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 122.958 0.503 . . . . 0.0 110.975 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.2 m -52.98 150.66 5.32 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.25 0.62 . . . . 0.0 111.028 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.19 149.5 48.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.042 0.537 . . . . 0.0 110.741 -174.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.482 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.5 t -123.93 138.81 54.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.586 0.754 . . . . 0.0 109.578 174.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.5 136.61 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -129.69 148.93 51.63 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 122.749 0.42 . . . . 0.0 111.062 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.5 t0 46.89 55.53 7.78 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.57 143.87 28.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -172.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -129.09 157.49 41.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.14 1.376 . . . . 0.0 108.933 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -62.89 -13.5 34.96 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.17 -4.19 59.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 111.594 176.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -89.48 -19.48 25.03 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -69.2 135.61 50.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.96 0.504 . . . . 0.0 109.761 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.93 -151.08 23.04 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.8 t -122.01 153.29 38.76 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 122.809 0.444 . . . . 0.0 111.017 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.546 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.0 m-85 -137.63 156.32 48.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.565 1.146 . . . . 0.0 112.89 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -143.44 155.84 44.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -104.25 157.09 17.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -176.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -135.84 149.09 48.93 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.841 0.457 . . . . 0.0 111.027 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -126.29 132.7 51.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.603 1.161 . . . . 0.0 110.477 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -139.35 133.36 31.02 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -154.66 110.63 3.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.46 -122.65 30.62 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -172.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.9 t -85.88 -7.79 58.47 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.914 0.486 . . . . 0.0 111.595 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.2 tpp -67.38 135.75 53.69 Favored 'General case' 0 C--N 1.34 0.18 0 O-C-N 121.841 -0.537 . . . . 0.0 110.981 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -146.59 123.98 11.65 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.39 1.076 . . . . 0.0 109.144 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -159.18 149.01 18.91 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 117.725 0.238 . . . . 0.0 110.556 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -126.13 128.52 47.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.617 0.767 . . . . 0.0 109.418 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.68 78.37 9.87 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.48 152.64 39.34 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.984 0.514 . . . . 0.0 110.121 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.2 t -66.9 146.52 54.31 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.993 0.517 . . . . 0.0 111.099 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -141.71 -159.75 1.0 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.405 0.682 . . . . 0.0 109.976 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.42 -49.94 23.92 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.925 0.89 . . . . 0.0 112.881 -174.652 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -131.99 -19.91 2.53 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -74.63 141.67 44.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -137.76 141.23 40.94 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 t -155.92 165.72 35.64 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.16 154.32 42.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -138.52 168.25 20.18 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.516 1.127 . . . . 0.0 110.54 177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.11 124.18 50.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.535 0.734 . . . . 0.0 109.72 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.2 m -100.03 132.33 45.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 170.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -110.63 148.3 14.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.46 154.24 46.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.62 142.24 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.258 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.68 145.24 34.67 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.056 0.543 . . . . 0.0 112.45 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.59 149.96 41.74 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.163 -0.335 . . . . 0.0 111.118 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.39 -22.22 66.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.708 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER . . . . . 0 C--O 1.233 0.215 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -58.61 133.03 55.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.32 8.68 87.04 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.768 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -57.89 131.73 51.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.712 1.256 . . . . 0.0 111.283 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 -8.04 80.73 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.024 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -101.65 105.01 15.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.886 0.843 . . . . 0.0 110.53 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.452 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.23 160.34 40.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.218 0.532 . . . . 0.0 110.697 176.815 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -147.69 144.63 28.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.532 -174.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.452 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -123.59 125.8 45.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.058 0.543 . . . . 0.0 109.602 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.68 158.77 3.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 122.915 0.486 . . . . 0.0 111.727 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -56.87 130.23 44.88 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.768 0.827 . . . . 0.0 109.613 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.65 -26.51 54.94 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.54 126.02 7.45 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.456 HG21 HG22 ' A' ' 29' ' ' VAL . 34.5 t -117.08 127.19 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -112.23 129.11 56.38 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 170.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -132.92 147.21 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.483 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.0 155.81 39.46 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.085 0.469 . . . . 0.0 110.152 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -72.59 127.07 31.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.912 -0.492 . . . . 0.0 109.964 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.82 3.12 59.43 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.6 -1.111 . . . . 0.0 115.128 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.59 -177.69 4.59 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.573 1.686 . . . . 0.0 111.525 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -105.89 167.96 9.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.1 p -153.9 156.38 5.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 124.76 1.224 . . . . 0.0 110.711 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -110.55 142.58 42.16 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.815 0.846 . . . . 0.0 109.644 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HG21 ' A' ' 19' ' ' VAL . 40.2 t -132.24 113.17 14.52 Favored Pre-proline 0 CA--C 1.527 0.066 0 C-N-CA 123.104 0.562 . . . . 0.0 110.848 177.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.73 136.43 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.663 2.242 . . . . 0.0 110.22 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.1 t -149.18 146.91 27.88 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.596 0.358 . . . . 0.0 110.154 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -146.96 155.94 42.67 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 123.442 0.697 . . . . 0.0 110.317 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -151.63 170.39 19.8 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.34 154.74 40.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.877 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -151.83 161.47 29.43 Favored Pre-proline 0 N--CA 1.454 -0.24 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.23 151.81 64.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.38 2.72 . . . . 0.0 111.781 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -90.21 35.9 0.87 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.189 0.596 . . . . 0.0 112.276 -176.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.79 155.79 45.39 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.86 3.93 79.53 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.942 -0.365 . . . . 0.0 112.244 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.7 p-90 -152.06 175.52 12.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.626 0.713 . . . . 0.0 111.221 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -143.63 161.74 37.73 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.12 -21.89 64.15 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -75.18 -23.16 57.68 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.978 -0.451 . . . . 0.0 111.669 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.07 120.39 69.89 Favored Pre-proline 0 C--N 1.339 0.129 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.625 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.44 153.9 45.06 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.371 2.047 . . . . 0.0 110.285 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.94 153.1 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -136.09 132.91 36.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.161 -0.337 . . . . 0.0 110.402 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 156.46 15.58 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -151.39 149.21 29.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -118.74 148.12 43.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.007 0.523 . . . . 0.0 112.374 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -146.48 154.67 41.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.723 0.809 . . . . 0.0 112.153 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 46.6 mtt180 -85.39 146.09 27.16 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 O-C-N 122.053 -0.404 . . . . 0.0 111.081 -177.13 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.28 154.33 65.78 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 123.185 2.59 . . . . 0.0 109.603 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -76.69 -20.41 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.73 147.48 13.61 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.009 0.524 . . . . 0.0 110.166 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.234 0.248 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 178.831 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 119.945 -0.074 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -54.33 138.57 39.03 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.569 0.224 . . . . 0.0 110.715 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.4 -20.56 63.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -91.98 -5.79 52.4 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.038 -0.414 . . . . 0.0 111.402 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.406 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 4.2 p -117.43 3.52 12.5 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.037 0.935 . . . . 0.0 113.521 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.44 120.73 11.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -15.21 3.91 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.724 0.678 . . . . 0.0 112.993 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -88.48 -31.12 18.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.352 1.076 . . . . 0.0 111.214 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 8.4 m-85 -107.25 126.86 52.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.66 140.7 26.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.78 154.59 39.49 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.6 mt -131.36 170.9 14.01 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.017 0.927 . . . . 0.0 110.041 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.65 -177.66 53.72 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 123.018 0.342 . . . . 0.0 112.935 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.71 133.14 34.31 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.68 -40.85 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.631 0.772 . . . . 0.0 111.033 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.07 -5.99 58.81 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.556 0.342 . . . . 0.0 111.248 -175.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -99.59 9.66 42.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.34 0.656 . . . . 0.0 111.154 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 56.64 34.77 25.07 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 112.445 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -77.96 127.1 31.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 174.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.39 13.64 20.28 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.925 0.49 . . . . 0.0 111.093 175.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -52.88 150.0 5.84 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.001 0.521 . . . . 0.0 110.89 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.4 tp -135.71 149.38 49.21 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.435 -173.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.474 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.8 t -124.84 133.08 53.23 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.105 0.562 . . . . 0.0 109.845 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.09 137.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -130.29 153.34 48.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.25 41.69 30.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.54 143.3 30.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -171.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -139.41 162.83 34.08 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.447 1.099 . . . . 0.0 109.397 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.69 -16.3 25.81 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -82.51 -4.1 56.98 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.093 0.406 . . . . 0.0 111.887 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -92.21 -20.35 21.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -67.07 134.08 51.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.701 0.4 . . . . 0.0 110.119 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.69 -150.75 22.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 t -122.0 151.67 40.55 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 110.809 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.555 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.2 m-85 -138.39 157.43 46.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.514 1.126 . . . . 0.0 112.634 -175.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -143.58 154.55 43.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -100.51 158.1 16.17 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -137.24 150.27 47.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.921 0.391 . . . . 0.0 110.821 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.94 132.93 51.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.277 1.031 . . . . 0.0 110.08 -175.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.81 131.98 29.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 169.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -154.45 110.96 3.28 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -124.83 37.48 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 108.976 -1.649 . . . . 0.0 108.976 -172.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -83.3 -8.76 59.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.819 0.448 . . . . 0.0 112.113 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.8 tpp -66.43 136.86 56.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.304 0.502 . . . . 0.0 111.357 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -148.26 123.98 10.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.873 1.269 . . . . 0.0 109.364 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -161.45 131.73 4.99 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.393 0.542 . . . . 0.0 111.445 175.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.4 m -101.55 129.82 47.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 172.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -80.99 78.21 7.83 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -146.96 148.06 31.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.342 0.657 . . . . 0.0 110.333 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.3 p -69.49 152.98 44.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.273 0.629 . . . . 0.0 111.908 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -142.79 -154.7 0.54 Allowed 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.306 1.042 . . . . 0.0 110.195 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.18 -51.65 17.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.723 1.609 . . . . 0.0 112.587 -176.159 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.94 -16.72 2.86 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.845 0.458 . . . . 0.0 112.155 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -77.11 141.03 40.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.322 1.231 . . . . 0.0 114.322 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.88 140.99 38.58 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 122.92 0.488 . . . . 0.0 110.118 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -156.51 165.16 37.1 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.469 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.6 tpmt? -72.11 154.32 41.16 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.262 1.025 . . . . 0.0 111.377 -175.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -138.62 169.42 17.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.39 1.076 . . . . 0.0 110.572 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.3 tp -117.08 121.79 42.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.528 0.731 . . . . 0.0 109.922 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -97.35 129.94 44.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.93 148.13 11.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 173.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.49 155.21 45.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -133.7 143.16 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 123.166 0.587 . . . . 0.0 110.041 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -142.2 146.32 35.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.57 150.43 38.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.016 -0.427 . . . . 0.0 110.749 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -63.83 -29.35 70.55 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.638 0.375 . . . . 0.0 110.206 175.666 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 0.8 OUTLIER . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 117.985 2.587 . . . . 0.0 117.985 174.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.89 133.92 55.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.44 11.02 85.73 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.898 -0.39 . . . . 0.0 113.059 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.1 130.51 42.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.491 1.145 . . . . 0.0 112.575 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.69 79.29 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.548 -0.585 . . . . 0.0 111.859 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -101.32 105.29 16.34 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.794 0.797 . . . . 0.0 110.074 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.44 160.99 38.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 110.545 176.657 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.28 147.19 31.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.519 0.728 . . . . 0.0 109.898 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.479 HE22 HD23 ' A' ' 12' ' ' LEU . 22.8 mp0 -127.35 125.11 40.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.367 0.667 . . . . 0.0 109.563 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.34 158.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.356 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -55.2 129.17 37.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 109.94 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -74.89 -28.38 60.62 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.22 124.37 6.86 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.981 0.419 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG21 HG22 ' A' ' 29' ' ' VAL . 37.3 t -114.02 126.66 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.3 p -112.04 127.67 55.96 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 169.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -131.74 145.94 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.03 157.46 38.17 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.08 -0.388 . . . . 0.0 110.384 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -72.91 128.88 36.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.719 -0.613 . . . . 0.0 110.272 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.41 65.98 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.888 -0.951 . . . . 0.0 115.206 174.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.23 178.91 6.08 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.329 1.565 . . . . 0.0 111.049 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.4 p -101.79 168.72 9.26 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -154.85 154.59 6.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.503 1.121 . . . . 0.0 110.44 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -108.68 142.99 38.36 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.334 1.053 . . . . 0.0 109.952 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.455 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -133.19 112.55 13.23 Favored Pre-proline 0 N--CA 1.456 -0.138 0 C-N-CA 123.004 0.522 . . . . 0.0 110.687 177.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.4 137.71 21.19 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.706 2.27 . . . . 0.0 110.115 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -150.27 143.64 25.06 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.784 0.434 . . . . 0.0 110.265 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -146.62 156.44 43.21 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.859 0.863 . . . . 0.0 110.338 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -152.03 173.01 15.41 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 t -149.1 155.35 40.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -152.03 160.73 31.06 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.85 151.87 61.61 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.549 2.833 . . . . 0.0 111.929 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -88.6 36.0 0.79 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.63 157.19 41.98 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.89 2.6 86.25 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.852 -0.416 . . . . 0.0 112.317 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -151.91 175.97 11.94 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.891 0.846 . . . . 0.0 111.144 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -145.72 164.33 32.16 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.2 -22.39 65.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.916 0.486 . . . . 0.0 111.067 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -76.46 -15.49 59.89 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.863 -0.523 . . . . 0.0 111.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -98.49 122.27 54.06 Favored Pre-proline 0 N--CA 1.455 -0.19 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.96 151.72 40.05 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 123.08 2.52 . . . . 0.0 110.771 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.15 152.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -135.98 128.16 29.92 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 122.056 -0.402 . . . . 0.0 110.994 174.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.36 154.64 17.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.83 148.38 29.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.654 0.782 . . . . 0.0 110.527 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -124.19 144.37 49.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.331 0.653 . . . . 0.0 112.734 174.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.19 161.58 39.91 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 37.6 mtm180 -88.63 152.36 21.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.237 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.86 159.19 54.24 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.685 2.923 . . . . 0.0 109.973 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.39 -21.44 12.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.1 146.92 14.42 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.79 0.436 . . . . 0.0 110.579 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.53 0.177 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.31 177.542 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.233 0.186 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -55.21 140.18 39.7 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 122.758 0.423 . . . . 0.0 110.92 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.33 -20.61 63.87 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.407 0.283 . . . . 0.0 111.698 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -90.71 -1.29 57.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.816 0.446 . . . . 0.0 111.4 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -127.57 5.61 6.2 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 119.66 9.41 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -176.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 -17.1 2.82 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.648 0.642 . . . . 0.0 113.238 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -85.7 -30.47 23.12 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.377 1.089 . . . . 0.0 111.109 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -107.18 128.11 54.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.09 142.4 26.24 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.73 153.86 39.86 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 94' ' ' SER . 19.1 mt -129.49 -16.69 3.84 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 111.839 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.52 151.79 38.5 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -74.78 138.19 42.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.94 -39.84 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.082 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -90.36 16.83 8.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.618 0.367 . . . . 0.0 111.447 -175.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -131.02 12.7 5.19 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.858 0.463 . . . . 0.0 111.437 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 55.02 31.3 15.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -91.25 133.39 35.44 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.464 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 3.6 p -113.44 16.14 18.94 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.907 0.883 . . . . 0.0 111.989 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.7 m -52.3 147.09 8.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.092 0.557 . . . . 0.0 111.685 -175.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.8 tp -134.21 152.42 51.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.856 0.863 . . . . 0.0 110.474 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.526 ' HB2' HD11 ' A' ' 83' ' ' LEU . 20.6 t -127.43 138.92 53.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.587 0.755 . . . . 0.0 109.788 172.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.2 137.37 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 171.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -128.78 148.64 50.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.15 53.5 11.62 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.42 142.71 42.96 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.44 162.33 33.96 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.945 0.898 . . . . 0.0 109.264 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.78 -15.95 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -84.45 -2.87 57.9 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.218 0.463 . . . . 0.0 111.407 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.09 -18.92 19.8 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -67.49 134.87 52.13 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.743 0.417 . . . . 0.0 109.985 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.0 -149.34 20.75 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.2 t -124.58 153.43 42.17 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.231 0.612 . . . . 0.0 110.827 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.488 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 52.9 m-85 -139.46 156.31 47.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.506 1.122 . . . . 0.0 113.273 -175.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -138.82 152.71 48.1 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.55 158.67 15.75 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -142.22 151.99 42.65 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.57 0.623 . . . . 0.0 110.986 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -125.17 138.1 54.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.341 1.056 . . . . 0.0 111.427 -171.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -141.04 134.54 29.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.757 0.823 . . . . 0.0 109.26 168.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -155.32 108.52 2.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.22 -123.35 33.17 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.2 m -83.66 -6.92 59.56 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.8 tpp -67.62 136.24 54.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.316 0.507 . . . . 0.0 111.175 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.27 121.26 8.8 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.818 1.247 . . . . 0.0 109.515 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -160.35 131.6 5.76 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 118.104 0.411 . . . . 0.0 110.881 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -103.22 134.06 47.25 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -85.18 78.15 9.89 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -147.95 159.93 43.36 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 124.454 1.101 . . . . 0.0 109.181 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.3 p -80.59 153.83 27.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -138.06 -163.37 1.44 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.35 1.46 . . . . 0.0 110.11 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -49.73 4.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.356 1.462 . . . . 0.0 112.894 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -14.93 3.15 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -77.66 140.26 39.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.83 141.17 42.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.31 0.644 . . . . 0.0 110.663 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.18 164.94 38.13 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.1 154.18 41.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 111.28 -176.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -139.77 167.66 21.59 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.626 1.17 . . . . 0.0 110.658 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.22 122.38 46.6 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.249 0.619 . . . . 0.0 110.315 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.3 m -99.08 128.88 45.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.24 148.01 10.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 172.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.34 155.3 45.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -176.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -133.76 142.98 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.123 0.569 . . . . 0.0 110.094 -176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.84 146.17 35.53 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.251 0.62 . . . . 0.0 112.224 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.51 150.66 38.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.608 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.92 -19.4 65.91 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.55 132.47 53.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.56 85.62 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 119.679 -0.512 . . . . 0.0 113.112 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.22 127.46 30.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.533 1.166 . . . . 0.0 111.914 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.64 -7.06 82.61 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.42 -0.656 . . . . 0.0 111.889 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -101.92 104.03 14.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 117.766 0.783 . . . . 0.0 110.25 175.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.47 160.56 39.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.742 177.209 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.35 147.04 30.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.724 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.459 HE22 HD23 ' A' ' 12' ' ' LEU . 23.0 mp0 -127.42 125.62 40.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.076 0.55 . . . . 0.0 109.921 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.409 ' H ' ' HG2' ' A' ' 128' ' ' LYS . 9.5 p -152.34 158.42 4.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 122.574 0.35 . . . . 0.0 111.19 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -53.48 131.22 37.88 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.988 0.915 . . . . 0.0 109.998 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.03 -29.9 60.93 Favored 'General case' 0 CA--C 1.523 -0.059 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -154.15 123.02 6.31 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.456 HG21 HG22 ' A' ' 29' ' ' VAL . 38.0 t -111.84 127.7 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.34 129.11 56.62 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 169.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -133.32 147.36 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.155 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.45 157.1 38.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.948 0.404 . . . . 0.0 110.396 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -73.92 129.43 37.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.619 -0.676 . . . . 0.0 110.089 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.44 1.02 60.8 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-O 118.755 -1.025 . . . . 0.0 114.837 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.36 179.29 6.12 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.406 1.603 . . . . 0.0 111.466 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -102.4 168.8 9.09 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.78 154.87 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.506 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -110.08 141.97 42.18 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.98 0.912 . . . . 0.0 109.873 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HG21 ' A' ' 19' ' ' VAL . 40.8 t -131.48 112.87 15.41 Favored Pre-proline 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 110.78 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.18 135.92 19.37 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 122.98 2.453 . . . . 0.0 110.149 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.7 t -148.69 142.92 26.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.909 0.484 . . . . 0.0 110.252 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -143.53 153.4 42.55 Favored 'General case' 0 CA--C 1.524 -0.022 0 C-N-CA 123.858 0.863 . . . . 0.0 110.916 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -149.8 171.41 16.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 118.362 0.528 . . . . 0.0 112.379 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 t -148.39 153.52 38.67 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.747 0.419 . . . . 0.0 110.816 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -154.55 160.57 30.79 Favored Pre-proline 0 CA--C 1.529 0.156 0 C-N-CA 124.06 0.944 . . . . 0.0 113.302 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -59.25 153.19 54.78 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.098 2.532 . . . . 0.0 111.849 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.494 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.4 pt20 -82.28 14.29 3.03 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -92.88 150.38 20.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.29 6.12 86.51 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.244 -0.753 . . . . 0.0 113.531 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.494 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.4 p-90 -148.34 175.26 11.25 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.536 1.168 . . . . 0.0 111.752 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.49 162.55 35.52 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.64 -21.43 60.46 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -75.29 -14.62 60.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.872 0.469 . . . . 0.0 111.851 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -96.59 125.55 46.66 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.81 151.87 36.44 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.293 2.662 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.46 99.18 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -84.09 123.28 29.88 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.557 -0.715 . . . . 0.0 110.786 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.17 157.23 18.49 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -151.7 149.93 29.65 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -118.68 147.43 43.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.884 0.474 . . . . 0.0 111.911 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.47 152.5 45.69 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -77.1 137.98 39.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 O-C-N 122.033 -0.417 . . . . 0.0 110.741 -177.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.368 0.128 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.48 157.56 44.85 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.301 2.667 . . . . 0.0 109.872 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.4 -20.52 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.095 0 O-C-N 121.649 -0.657 . . . . 0.0 109.872 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.18 147.51 16.28 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.387 178.375 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 110.829 -0.063 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -54.97 144.25 23.8 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.647 0.379 . . . . 0.0 111.752 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.54 62.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -83.0 -7.13 59.7 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.081 0.4 . . . . 0.0 111.135 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.0 p -121.15 3.85 10.38 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.07 123.23 18.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -175.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.83 2.8 65.87 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.048 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -115.91 -28.37 6.69 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.245 1.023 . . . . 0.0 112.052 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.15 127.42 53.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.853 1.056 . . . . 0.0 113.853 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -146.83 142.42 27.67 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.99 154.39 39.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.313 0.645 . . . . 0.0 109.755 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.3 mt -132.33 172.18 12.77 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.051 0.94 . . . . 0.0 110.109 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.55 -175.74 54.82 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 121.141 0.301 . . . . 0.0 113.198 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.5 133.5 35.87 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.59 -38.04 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.465 0.706 . . . . 0.0 110.834 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -88.5 16.94 5.8 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.805 0.442 . . . . 0.0 111.112 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -130.81 14.94 5.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.264 0.626 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 55.83 35.37 25.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.729 0.811 . . . . 0.0 113.047 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -78.55 128.48 33.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.633 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 6.0 p -114.78 14.56 17.45 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.27 0.628 . . . . 0.0 111.2 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.5 m -54.03 150.64 7.75 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.223 0.609 . . . . 0.0 110.898 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -136.01 149.8 48.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.389 0.676 . . . . 0.0 110.716 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.471 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.5 t -125.28 136.42 53.5 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.197 0.599 . . . . 0.0 109.659 173.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.3 137.55 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -128.81 148.36 50.87 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 122.866 0.466 . . . . 0.0 109.846 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.25 53.12 11.23 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.09 45.25 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -137.84 163.63 30.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.197 0.999 . . . . 0.0 109.662 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.63 -15.7 31.04 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -82.36 -6.99 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.248 0.477 . . . . 0.0 111.509 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -90.0 -19.4 24.49 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 122.663 0.385 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -69.44 133.58 47.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.155 0.582 . . . . 0.0 109.953 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -150.46 22.24 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.96 152.66 42.25 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.802 0.441 . . . . 0.0 111.079 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -141.09 162.29 35.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.274 1.03 . . . . 0.0 111.606 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -144.06 156.64 44.45 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -101.65 157.37 16.88 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -137.79 148.07 45.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 110.883 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp -121.86 134.73 54.88 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.607 1.163 . . . . 0.0 109.794 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -140.13 130.21 24.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -154.19 108.6 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.21 -123.45 33.04 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 -172.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.5 t -83.77 -11.16 57.47 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -66.15 139.85 58.16 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 122.02 -0.425 . . . . 0.0 111.33 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -151.89 128.34 10.67 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 124.343 1.057 . . . . 0.0 108.701 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -161.56 129.48 4.2 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.217 0.462 . . . . 0.0 110.873 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.6 m -99.43 126.65 45.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -79.6 78.1 6.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -144.02 152.05 40.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.761 0.824 . . . . 0.0 109.355 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.5 p -69.88 154.68 41.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -146.05 -159.36 1.0 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.0 -49.34 16.15 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.123 0.969 . . . . 0.0 112.827 -174.441 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.31 -17.13 2.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.788 0.435 . . . . 0.0 112.166 176.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -76.01 143.81 41.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -138.09 141.3 40.24 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.409 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.72 166.72 32.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 15' ' ' VAL . 15.9 tppt? -72.86 154.71 40.48 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.649 1.18 . . . . 0.0 111.714 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -140.15 167.67 21.6 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 124.394 1.077 . . . . 0.0 110.635 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.7 tp -113.76 124.98 53.58 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.355 0.662 . . . . 0.0 110.293 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 65.6 m -100.96 131.43 46.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 170.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.19 148.22 13.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.575 0.35 . . . . 0.0 110.278 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.2 45.95 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.06 143.08 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.091 0.556 . . . . 0.0 110.48 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.5 t -142.42 145.34 33.7 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.95 150.99 40.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.138 -0.351 . . . . 0.0 110.709 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.75 -22.48 66.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.646 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.327 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 172.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -58.04 133.99 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 11.77 85.18 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.808 -0.44 . . . . 0.0 112.906 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.33 131.91 46.77 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.513 1.157 . . . . 0.0 112.595 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 -8.18 77.37 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 119.613 -0.548 . . . . 0.0 112.239 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.13 102.44 13.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.835 0.818 . . . . 0.0 110.532 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -140.25 160.6 39.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.502 0.668 . . . . 0.0 110.654 177.081 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -147.57 145.55 29.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.363 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.453 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -124.95 127.08 46.49 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.23 157.53 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 122.63 0.372 . . . . 0.0 111.479 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -53.4 131.58 38.12 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.821 0.848 . . . . 0.0 110.135 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.65 -30.84 61.76 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -154.45 121.99 5.78 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.023 0.439 . . . . 0.0 109.86 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 29' ' ' VAL . 40.8 t -109.84 127.09 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -113.0 128.85 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 169.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -132.95 147.43 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.65 40.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 110.638 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -72.89 127.38 32.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.707 -0.62 . . . . 0.0 109.944 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.32 1.65 59.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.683 -1.065 . . . . 0.0 115.107 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.92 178.51 6.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.403 1.601 . . . . 0.0 111.614 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.7 p -102.08 168.53 9.32 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -175.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -154.4 156.68 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 C-N-CA 124.434 1.094 . . . . 0.0 110.911 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -110.44 143.34 40.88 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.135 0.974 . . . . 0.0 109.804 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 19' ' ' VAL . 40.6 t -132.31 112.46 14.28 Favored Pre-proline 0 N--CA 1.457 -0.123 0 C-N-CA 123.259 0.624 . . . . 0.0 110.701 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.3 135.05 18.04 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.825 2.35 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -147.98 147.59 29.81 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.889 0.475 . . . . 0.0 109.997 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 t -147.67 155.81 42.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.349 0.66 . . . . 0.0 110.654 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -151.58 169.76 21.31 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.6 t -146.93 154.2 40.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -152.66 161.02 30.33 Favored Pre-proline 0 N--CA 1.455 -0.178 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.26 151.15 61.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.571 2.848 . . . . 0.0 111.772 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -90.16 36.31 0.87 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -130.03 156.56 44.28 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.76 2.88 84.03 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.797 -0.446 . . . . 0.0 112.269 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -151.3 175.69 11.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 117.736 0.768 . . . . 0.0 110.734 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -145.58 163.52 34.52 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -61.5 -21.78 64.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.115 0.566 . . . . 0.0 112.089 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -76.57 -17.03 59.44 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -97.89 120.38 60.26 Favored Pre-proline 0 N--CA 1.457 -0.113 0 C-N-CA 122.529 0.332 . . . . 0.0 110.841 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.36 153.05 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.55 2.167 . . . . 0.0 110.535 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.5 152.43 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -136.21 130.53 33.27 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.697 0.284 . . . . 0.0 110.48 171.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 157.09 15.88 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -150.93 146.03 26.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -115.91 147.86 40.65 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.152 0.581 . . . . 0.0 111.919 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.1 150.71 43.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -76.65 137.67 39.58 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 O-C-N 122.034 -0.416 . . . . 0.0 110.294 -178.328 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.64 157.35 55.99 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.55 2.833 . . . . 0.0 109.824 175.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.48 -21.2 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 CA-C-N 118.075 0.398 . . . . 0.0 110.126 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.61 145.78 14.54 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.332 -0.155 0 C-N-CA 122.292 0.237 . . . . 0.0 111.002 178.175 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.231 0.117 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -54.13 140.92 30.65 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.662 0.385 . . . . 0.0 111.392 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.47 -24.35 62.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -83.01 -7.13 59.7 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 117.918 0.326 . . . . 0.0 110.762 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.434 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.6 p -123.3 4.47 9.13 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -62.56 121.49 13.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.84 -6.99 23.27 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.355 -0.692 . . . . 0.0 113.34 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.7 mtm105 -102.27 -28.02 12.51 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.556 1.178 . . . . 0.0 111.91 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.5 m-85 -105.59 127.87 53.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.25 139.33 25.72 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.69 154.39 39.68 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.598 0.759 . . . . 0.0 109.586 175.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.3 172.66 12.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.131 0.972 . . . . 0.0 110.2 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.87 52.44 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 121.09 0.272 . . . . 0.0 113.275 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.44 132.91 33.84 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.42 -40.07 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.56 0.744 . . . . 0.0 111.111 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -82.81 -4.36 57.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 122.441 0.297 . . . . 0.0 111.059 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -101.7 10.16 40.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.42 0.688 . . . . 0.0 111.308 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 56.72 33.87 23.63 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -79.0 127.64 32.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.13 -0.356 . . . . 0.0 111.447 175.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' CYS . . . . . 0.47 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.9 p -112.25 13.84 20.47 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 122.97 0.508 . . . . 0.0 111.013 175.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.9 m -53.2 150.64 5.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.252 0.621 . . . . 0.0 110.989 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.3 tp -136.59 150.52 48.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 -173.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.6 t -126.93 135.23 50.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.071 0.548 . . . . 0.0 109.874 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.64 138.5 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -127.8 147.28 50.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 47.68 51.57 13.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.85 143.51 36.95 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.696 0.398 . . . . 0.0 112.064 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -137.51 161.15 37.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 124.725 1.21 . . . . 0.0 109.714 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.02 -14.68 17.48 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -85.63 -5.78 59.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.157 0.435 . . . . 0.0 111.74 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -90.68 -18.79 24.46 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -67.36 134.84 52.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.278 0.631 . . . . 0.0 109.922 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.08 -151.33 23.14 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.7 152.77 41.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 117.202 0.501 . . . . 0.0 111.146 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -141.28 160.29 40.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.3 1.04 . . . . 0.0 111.5 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -142.54 158.0 44.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -103.45 160.28 14.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -140.59 149.88 42.92 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.167 0.439 . . . . 0.0 110.856 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -124.99 133.62 52.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.538 1.135 . . . . 0.0 110.072 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -140.13 132.17 27.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -154.25 111.1 3.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.61 -124.01 34.64 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.8 t -83.18 -11.85 57.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.016 0.527 . . . . 0.0 111.784 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.2 tpp -64.51 136.95 57.57 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.504 -0.748 . . . . 0.0 111.428 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -147.34 125.0 11.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.909 1.284 . . . . 0.0 109.676 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -159.41 135.93 9.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.046 0.384 . . . . 0.0 110.966 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -108.12 127.69 54.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.0 0.92 . . . . 0.0 109.579 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -83.1 78.33 9.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -176.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -145.33 153.42 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 122.917 0.487 . . . . 0.0 109.982 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -69.15 153.08 44.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.701 0.286 . . . . 0.0 110.896 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -143.68 -160.57 1.13 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.399 0.68 . . . . 0.0 109.421 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.2 -48.99 23.72 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.1 0.96 . . . . 0.0 113.076 -174.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.86 -16.75 2.88 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -76.01 141.8 42.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.49 141.39 39.41 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 122.922 0.489 . . . . 0.0 110.081 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.72 166.19 34.26 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -72.73 155.42 39.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.27 1.028 . . . . 0.0 111.81 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -139.38 166.72 23.82 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.367 1.067 . . . . 0.0 110.342 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -113.78 124.58 52.59 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.485 0.714 . . . . 0.0 110.346 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 64.8 m -101.18 130.75 47.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.71 148.34 11.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 122.71 0.404 . . . . 0.0 110.154 173.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.18 155.2 45.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 47.6 t -134.85 142.8 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.038 0.535 . . . . 0.0 110.394 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.52 146.79 36.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.95 151.2 38.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.03 -0.419 . . . . 0.0 110.7 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.91 -21.75 66.87 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 173.469 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 172.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.472 0.658 0 CA-C-O 120.585 0.231 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -70.32 149.9 46.9 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.243 -0.286 . . . . 0.0 110.42 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.71 -0.15 72.03 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.658 -0.523 . . . . 0.0 112.852 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.46 156.65 34.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -155.3 172.61 17.91 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.097 0.559 . . . . 0.0 110.228 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -73.13 143.09 47.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.515 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.56 130.92 48.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.12 10.8 85.23 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.068 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.46 132.86 54.99 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.572 1.186 . . . . 0.0 110.419 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.63 -8.35 79.94 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.65 -0.528 . . . . 0.0 112.04 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -101.85 106.7 17.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 117.646 0.723 . . . . 0.0 109.833 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -142.28 161.36 38.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.107 0.479 . . . . 0.0 110.658 176.123 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -146.91 145.72 29.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.599 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 12' ' ' LEU . 21.7 mp0 -128.1 131.0 49.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.76 158.23 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.024 0.529 . . . . 0.0 110.373 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -54.7 127.18 27.02 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.72 -28.17 61.57 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 tp -153.24 122.37 6.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 120.953 0.406 . . . . 0.0 109.906 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.508 HG21 HG22 ' A' ' 29' ' ' VAL . 42.7 t -111.39 127.2 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.305 1.1 p -113.89 128.04 56.23 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 169.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.92 147.88 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.28 155.82 39.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.033 0.444 . . . . 0.0 110.628 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.18 128.81 36.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.442 -0.786 . . . . 0.0 109.992 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.13 59.21 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 118.62 -1.1 . . . . 0.0 114.675 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.92 179.7 5.92 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.618 1.709 . . . . 0.0 111.426 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.0 p -102.09 169.0 9.02 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.92 148.8 12.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 C-N-CA 124.305 1.042 . . . . 0.0 110.535 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -100.92 143.76 30.69 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.654 0.782 . . . . 0.0 109.565 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.508 HG22 HG21 ' A' ' 19' ' ' VAL . 47.6 t -132.21 112.17 14.35 Favored Pre-proline 0 N--CA 1.456 -0.173 0 C-N-CA 123.147 0.579 . . . . 0.0 110.534 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.39 136.3 19.45 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.75 2.3 . . . . 0.0 110.393 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -148.78 147.5 28.87 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.747 0.419 . . . . 0.0 110.164 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -147.73 155.72 42.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.487 0.715 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -150.88 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.036 0.446 . . . . 0.0 112.176 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 t -148.67 153.55 38.43 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 122.583 0.353 . . . . 0.0 111.192 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -153.19 158.48 32.8 Favored Pre-proline 0 CA--C 1.53 0.2 0 C-N-CA 124.536 1.134 . . . . 0.0 113.167 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -64.12 155.38 65.22 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.011 2.474 . . . . 0.0 110.69 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.1 pt20 -82.29 17.41 1.69 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -94.5 152.86 18.23 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.65 2.95 89.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.181 -0.789 . . . . 0.0 114.35 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.0 p-90 -150.3 176.1 11.19 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.596 1.198 . . . . 0.0 111.368 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -144.68 161.52 38.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -60.79 -22.46 64.13 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.1 t -74.73 -22.4 58.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.086 -0.384 . . . . 0.0 111.59 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -90.47 120.76 68.95 Favored Pre-proline 0 C--O 1.232 0.153 0 C-N-CA 122.896 0.479 . . . . 0.0 111.979 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.05 152.99 41.19 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 123.088 2.525 . . . . 0.0 110.372 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.55 152.94 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -136.27 131.93 35.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.63 0.253 . . . . 0.0 110.669 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 156.99 15.93 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -150.07 146.41 26.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.59 147.75 44.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.27 0.628 . . . . 0.0 111.861 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -144.61 153.57 41.92 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.056 0.542 . . . . 0.0 110.564 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -75.19 147.39 40.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.57 138.76 56.64 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.988 -0.445 . . . . 0.0 110.34 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.77 -7.27 81.71 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.972 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -68.84 159.88 31.66 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -111.77 97.81 38.89 Favored Pre-proline 0 N--CA 1.455 -0.19 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.88 -10.21 27.93 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.169 2.58 . . . . 0.0 111.96 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.509 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 7.7 m-85 -90.24 -6.75 54.86 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -136.6 8.45 3.08 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.777 0.717 . . . . 0.0 112.672 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -152.01 164.42 37.24 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.87 151.32 63.86 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 123.071 0.548 . . . . 0.0 111.39 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.9 160.35 46.19 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.652 2.902 . . . . 0.0 109.904 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -79.16 -20.6 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 O-C-N 122.083 -0.386 . . . . 0.0 110.056 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.12 145.91 13.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.841 0.456 . . . . 0.0 109.8 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -159.2 157.44 30.79 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.727 0.298 . . . . 0.0 111.637 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -88.77 -4.37 58.53 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.108 0.563 . . . . 0.0 111.886 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -63.41 138.37 97.34 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 118.006 0.366 . . . . 0.0 111.204 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.51 -21.92 9.75 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.307 2.671 . . . . 0.0 111.619 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -109.2 -26.04 10.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -72.91 136.68 45.27 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -81.69 173.51 12.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -134.6 162.6 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.047 0 C-N-CA 122.714 0.406 . . . . 0.0 111.79 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -55.19 140.34 39.01 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 122.791 0.437 . . . . 0.0 111.143 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -25.03 63.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.683 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -82.67 -5.72 59.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.003 0.365 . . . . 0.0 110.852 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.452 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.0 p -125.12 5.97 7.88 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.56 119.87 9.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.26 -13.38 4.72 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.49 -0.617 . . . . 0.0 113.366 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -90.67 -28.97 18.01 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.47 1.135 . . . . 0.0 111.349 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -106.88 127.42 53.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -146.46 142.3 27.98 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.76 154.41 39.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.474 0.709 . . . . 0.0 109.75 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 94' ' ' SER . 15.4 mt -132.54 172.98 11.81 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.967 0.907 . . . . 0.0 110.346 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.75 -176.79 52.45 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 116.564 -0.289 . . . . 0.0 112.583 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -88.5 141.26 28.68 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.52 -40.93 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.026 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -82.13 -6.96 59.58 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.74 0.416 . . . . 0.0 111.073 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.9 t -97.04 7.71 46.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.376 0.67 . . . . 0.0 111.462 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.91 33.27 22.94 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.242 0.617 . . . . 0.0 112.452 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.19 127.44 32.04 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.121 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.466 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -111.43 13.64 21.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.834 0.454 . . . . 0.0 111.03 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.68 149.6 5.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.31 0.644 . . . . 0.0 111.033 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.9 tp -134.75 151.1 50.72 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.568 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.493 ' HB2' HD11 ' A' ' 83' ' ' LEU . 16.5 t -125.99 136.53 53.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.406 0.682 . . . . 0.0 109.862 173.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.57 137.52 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -127.17 147.96 50.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.666 0.386 . . . . 0.0 110.156 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.78 52.49 12.69 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 142.31 42.21 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -174.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -137.88 161.71 35.91 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 124.399 1.08 . . . . 0.0 109.664 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.55 -15.21 16.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.09 -4.46 59.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.301 0.5 . . . . 0.0 111.663 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.28 -17.82 22.26 Favored 'General case' 0 N--CA 1.461 0.103 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -67.93 134.69 51.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.37 -148.94 20.3 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 t -125.47 153.49 43.45 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.778 0.431 . . . . 0.0 110.828 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -140.73 161.1 38.59 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.369 1.068 . . . . 0.0 111.56 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -144.44 156.24 44.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -104.9 160.35 15.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -140.61 150.9 44.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 118.263 0.483 . . . . 0.0 110.502 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.52 133.43 53.33 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.342 1.057 . . . . 0.0 110.321 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -139.03 131.22 28.18 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -153.62 110.99 3.48 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.82 -123.78 34.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -84.81 -7.68 59.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.717 0.407 . . . . 0.0 111.717 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.4 tpp -66.93 136.92 56.1 Favored 'General case' 0 N--CA 1.457 -0.103 0 O-C-N 121.724 -0.61 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -149.51 123.99 9.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.899 1.28 . . . . 0.0 109.372 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.432 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 64.5 t-105 -161.93 128.6 3.77 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.392 0.542 . . . . 0.0 111.433 174.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.1 m -95.44 129.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -82.06 78.11 8.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -148.4 166.01 29.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.3 p -76.85 158.19 30.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.436 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.413 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.6 mp0 -142.16 -163.94 1.7 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.228 1.411 . . . . 0.0 109.707 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -44.74 -49.48 10.56 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 124.939 1.296 . . . . 0.0 112.862 -176.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.68 -15.9 3.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.87 139.12 39.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -136.55 141.25 43.35 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.094 0.558 . . . . 0.0 110.266 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -153.24 163.56 39.68 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 128' ' ' LYS . 21.5 ttmm -75.97 157.76 32.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.579 0.752 . . . . 0.0 111.811 -175.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -138.2 169.98 16.83 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.473 1.109 . . . . 0.0 110.963 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.5 tp -114.37 124.54 52.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.042 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.2 m -102.81 129.59 49.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.14 148.24 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 122.6 0.36 . . . . 0.0 110.277 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.82 155.09 45.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -176.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -134.91 143.05 38.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 C-N-CA 123.021 0.529 . . . . 0.0 110.371 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.56 147.42 37.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.69 151.3 37.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.08 -0.387 . . . . 0.0 111.046 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.591 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.17 -20.41 66.43 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.164 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.325 1.2 t 54.32 11.87 0.44 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 117.4 2.37 . . . . 0.0 117.4 172.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.33 19.1 1.73 Allowed 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.729 -0.607 . . . . 0.0 111.787 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -179.84 -171.76 43.11 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 70.6 m -138.93 16.26 2.66 Favored 'General case' 0 N--CA 1.46 0.075 0 C-N-CA 122.941 0.497 . . . . 0.0 112.272 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 63.1 mt 59.59 13.83 3.6 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 144' ' ' PRO . 57.7 t -69.43 139.57 89.46 Favored Pre-proline 0 CA--C 1.531 0.248 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 143' ' ' VAL . 52.1 Cg_exo -57.11 160.68 12.36 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.754 2.969 . . . . 0.0 112.733 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.385 -179.597 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.509 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.432 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.81 -8.07 56.63 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.018 0.527 . . . . 0.0 111.72 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.23 -169.96 52.62 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 60.54 169.51 0.09 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -154.6 169.81 22.98 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.415 0.686 . . . . 0.0 110.167 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.64 139.81 58.8 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.118 0.567 . . . . 0.0 109.919 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.01 133.27 54.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 172.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.08 12.07 84.98 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.007 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.93 130.7 42.39 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.548 1.174 . . . . 0.0 112.612 175.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.26 -8.29 80.07 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.636 -0.536 . . . . 0.0 112.289 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.34 107.29 18.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.558 0.679 . . . . 0.0 109.618 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -142.8 160.88 39.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.23 0.538 . . . . 0.0 110.557 175.703 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -146.49 147.18 30.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.224 0.609 . . . . 0.0 110.144 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -131.4 128.85 40.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.332 0.653 . . . . 0.0 109.247 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 159.59 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.128 0.571 . . . . 0.0 110.43 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -55.62 129.18 38.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -78.1 -25.68 47.67 Favored 'General case' 0 C--O 1.231 0.079 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -172.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -153.42 123.38 6.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.505 HG21 HG22 ' A' ' 29' ' ' VAL . 40.2 t -113.3 128.89 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -114.43 129.72 56.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 169.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.17 148.2 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.498 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.09 155.95 39.73 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.892 -0.505 . . . . 0.0 110.308 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.88 128.07 34.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.931 -0.481 . . . . 0.0 110.147 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.76 2.34 58.53 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.847 -0.974 . . . . 0.0 114.842 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.41 -179.4 5.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.43 1.615 . . . . 0.0 111.693 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.4 p -103.37 168.21 9.31 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -175.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.73 148.81 12.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 124.615 1.166 . . . . 0.0 110.643 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -101.56 142.95 32.15 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.607 0.763 . . . . 0.0 109.984 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.505 HG22 HG21 ' A' ' 19' ' ' VAL . 47.5 t -131.61 111.66 15.01 Favored Pre-proline 0 C--O 1.232 0.159 0 C-N-CA 123.013 0.525 . . . . 0.0 110.696 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.34 137.12 20.58 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.853 2.369 . . . . 0.0 110.061 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -149.39 144.07 26.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.187 0.595 . . . . 0.0 110.169 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.9 m -144.84 153.63 41.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.832 0.853 . . . . 0.0 110.346 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -151.39 171.77 16.98 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 121.881 -0.512 . . . . 0.0 111.61 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -148.13 155.03 40.96 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -152.23 161.48 29.25 Favored Pre-proline 0 N--CA 1.454 -0.256 0 C-N-CA 124.222 1.009 . . . . 0.0 113.7 -175.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.78 151.73 62.03 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.232 2.621 . . . . 0.0 111.972 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -90.26 35.99 0.87 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.533 0.733 . . . . 0.0 112.558 -176.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.43 156.83 44.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.61 4.06 83.3 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.934 -0.37 . . . . 0.0 112.373 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -152.12 175.74 12.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.689 0.745 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -144.89 164.02 32.35 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -63.28 -20.3 65.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.886 0.474 . . . . 0.0 110.705 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -77.55 -15.98 58.93 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.64 120.74 56.73 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.497 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.51 152.82 43.87 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.916 2.411 . . . . 0.0 110.448 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -75.38 153.04 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -136.18 130.18 32.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 122.081 -0.387 . . . . 0.0 110.486 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.45 157.09 15.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -149.95 151.5 33.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -127.19 148.29 50.19 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.459 0.703 . . . . 0.0 111.661 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -149.3 157.44 43.34 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 56.7 mtt-85 -74.88 152.11 38.91 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.68 138.09 57.21 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.119 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.79 -7.78 81.15 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.49 -0.617 . . . . 0.0 112.884 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -70.74 162.07 29.74 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 118.482 1.141 . . . . 0.0 114.059 176.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -114.87 97.68 48.09 Favored Pre-proline 0 CA--C 1.529 0.149 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.89 -8.14 22.67 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.696 2.931 . . . . 0.0 112.894 -172.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.548 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 8.2 m-85 -83.53 -6.05 59.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -176.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -153.39 -22.01 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -80.2 155.8 27.22 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.396 0.544 . . . . 0.0 110.915 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.0 142.13 59.54 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.94 156.76 55.97 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.808 2.339 . . . . 0.0 109.461 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -77.62 -21.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.733 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.82 145.04 13.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.929 0.491 . . . . 0.0 110.033 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t -159.43 156.46 28.41 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -90.05 -2.24 58.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.328 0.651 . . . . 0.0 111.811 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -64.52 140.33 97.97 Favored Pre-proline 0 CA--C 1.528 0.106 0 O-C-N 122.027 -0.421 . . . . 0.0 111.44 177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.1 -22.45 9.91 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.263 2.642 . . . . 0.0 111.61 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -110.95 -25.56 9.75 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -73.73 136.0 43.65 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.7 pm0 -76.06 179.86 5.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.687 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.41 159.77 25.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 C-N-CA 123.565 0.746 . . . . 0.0 111.39 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.49 141.77 29.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.898 0.38 . . . . 0.0 111.418 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -24.12 62.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.373 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -84.17 -4.38 58.77 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.377 -0.202 . . . . 0.0 111.185 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.442 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.4 p -125.98 6.01 7.26 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 178.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.08 119.59 8.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.79 -14.2 4.7 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.134 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -89.39 -27.04 20.7 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.446 1.123 . . . . 0.0 111.616 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.442 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -110.3 128.34 55.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -147.29 142.85 27.61 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.96 154.4 39.35 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.763 0.825 . . . . 0.0 109.894 175.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -132.6 176.14 8.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.241 1.016 . . . . 0.0 110.536 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.19 -178.68 51.19 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 121.156 0.309 . . . . 0.0 112.876 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.08 132.09 34.43 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.86 -39.14 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.603 0.761 . . . . 0.0 111.165 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -84.15 -6.52 59.41 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.396 0.278 . . . . 0.0 110.855 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 t -97.57 10.65 39.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.62 34.35 24.32 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.138 0.575 . . . . 0.0 112.327 -175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -79.68 126.99 31.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.865 -0.522 . . . . 0.0 111.955 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.479 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.03 14.73 20.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.058 0.543 . . . . 0.0 110.819 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 m -53.96 151.09 7.06 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.188 0.595 . . . . 0.0 111.017 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.23 151.15 49.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.426 -174.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.9 t -126.07 134.01 51.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.275 0.63 . . . . 0.0 109.584 173.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.35 136.43 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -128.48 152.51 48.16 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 52.84 41.55 31.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 144.23 27.87 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -171.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.39 162.16 35.98 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 124.96 1.304 . . . . 0.0 109.295 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -59.8 -14.55 15.3 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -173.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -83.86 -2.35 56.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.861 0.464 . . . . 0.0 111.794 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -96.17 -18.08 20.36 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 118.374 0.533 . . . . 0.0 109.677 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.18 133.96 50.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -149.2 20.76 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.4 t -125.81 153.28 44.29 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 116.976 0.388 . . . . 0.0 110.846 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.444 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 63.2 m-85 -140.89 160.17 40.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.32 1.048 . . . . 0.0 111.489 -176.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -141.26 155.82 45.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -101.68 160.37 14.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -141.73 150.6 42.02 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 118.222 0.465 . . . . 0.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -123.55 132.31 53.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.284 1.033 . . . . 0.0 110.254 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -138.85 131.07 28.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -154.11 111.94 3.51 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.06 -123.81 34.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 72.1 m -85.17 -7.04 59.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.002 0.521 . . . . 0.0 112.323 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.84 136.2 52.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.209 0.459 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.52 122.84 10.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.666 1.186 . . . . 0.0 109.182 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.463 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.5 t-105 -160.16 135.09 7.81 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.02 0.373 . . . . 0.0 110.555 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -106.64 135.01 48.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.115 0.566 . . . . 0.0 109.481 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -86.52 78.45 9.2 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -149.02 161.88 41.04 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.223 1.009 . . . . 0.0 109.678 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -80.27 147.26 31.25 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -135.63 -164.6 1.57 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.567 1.547 . . . . 0.0 110.461 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -50.5 6.57 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.942 1.297 . . . . 0.0 113.005 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.52 -15.17 3.19 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -80.63 136.5 36.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -134.78 141.17 46.38 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.367 0.53 . . . . 0.0 110.004 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 t -153.85 162.13 41.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -76.64 155.98 33.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.821 0.848 . . . . 0.0 111.905 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -136.62 171.94 13.75 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.323 1.049 . . . . 0.0 111.225 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.6 tp -114.45 123.88 50.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.732 0.813 . . . . 0.0 109.764 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.8 m -101.36 129.9 47.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.7 t -107.02 148.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.25 155.1 46.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.95 142.59 39.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 123.217 0.607 . . . . 0.0 110.178 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.35 146.35 36.56 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.01 150.92 38.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.716 -0.615 . . . . 0.0 110.724 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.29 65.77 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.2 t 53.94 18.12 1.55 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 174.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -145.91 173.48 12.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.8 -0.563 . . . . 0.0 109.907 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 77.26 -171.88 55.15 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 98.6 p -155.68 169.18 24.93 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.191 0.596 . . . . 0.0 110.139 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 75.0 mt -74.97 -4.22 36.93 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.801 0.441 . . . . 0.0 111.896 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.27 137.41 89.06 Favored Pre-proline 0 N--CA 1.455 -0.218 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.25 152.45 81.05 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.203 2.602 . . . . 0.0 111.364 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.236 -177.009 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.548 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.463 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.451 0.167 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -68.23 148.87 50.22 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.617 0.367 . . . . 0.0 110.648 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -154.3 46.81 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -142.4 166.15 25.46 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -153.91 170.14 21.76 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.06 0.544 . . . . 0.0 110.199 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -65.04 139.39 58.74 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.153 0.581 . . . . 0.0 109.853 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -57.68 135.33 56.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.5 9.45 86.84 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-O 119.614 -0.548 . . . . 0.0 112.815 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -55.27 131.95 46.7 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.504 1.152 . . . . 0.0 112.506 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.63 79.4 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 119.46 -0.633 . . . . 0.0 111.854 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.55 106.93 18.49 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 117.668 0.734 . . . . 0.0 109.991 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -143.09 160.98 39.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.414 0.626 . . . . 0.0 110.64 175.691 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.88 147.23 30.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.576 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.424 HE22 HD23 ' A' ' 12' ' ' LEU . 21.2 mp0 -129.58 130.78 46.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -152.65 159.89 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.919 0.488 . . . . 0.0 110.237 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.97 127.59 29.6 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.0 -27.04 59.98 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -154.24 123.35 6.41 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.511 HG21 HG22 ' A' ' 29' ' ' VAL . 41.4 t -111.98 128.08 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.297 1.1 p -114.19 127.69 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 169.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -133.53 146.67 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.0 0.52 . . . . 0.0 110.044 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.53 155.86 40.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.164 0.507 . . . . 0.0 110.686 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.36 127.7 33.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 121.537 -0.727 . . . . 0.0 109.81 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.95 58.9 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.87 -0.961 . . . . 0.0 114.923 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.08 179.05 6.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.286 1.543 . . . . 0.0 111.653 176.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -101.95 168.96 9.07 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.7 156.09 5.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 124.196 0.998 . . . . 0.0 110.607 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -108.82 142.69 39.03 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.048 0.939 . . . . 0.0 109.782 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.511 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -131.7 112.49 15.05 Favored Pre-proline 0 N--CA 1.456 -0.157 0 C-N-CA 122.958 0.503 . . . . 0.0 110.82 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.27 136.07 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.024 2.482 . . . . 0.0 110.363 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.5 t -148.38 148.47 30.38 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.196 0.598 . . . . 0.0 110.324 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -148.22 155.07 40.92 Favored 'General case' 0 CA--C 1.524 -0.058 0 C-N-CA 123.311 0.644 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -150.83 169.19 22.29 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -146.83 154.13 40.98 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.6 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -151.51 160.66 31.43 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.56 151.88 59.23 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.356 2.704 . . . . 0.0 111.924 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.0 pt20 -89.63 35.94 0.84 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -130.15 155.68 45.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.9 3.39 80.05 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.005 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -151.52 176.21 11.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.547 0.673 . . . . 0.0 111.232 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -145.57 164.13 32.63 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -62.24 -22.0 65.62 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.016 0.526 . . . . 0.0 111.767 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.6 m -76.3 -16.68 59.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.625 0.37 . . . . 0.0 111.979 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.62 119.97 61.52 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 152.4 44.83 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.006 2.471 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.87 153.15 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -136.11 128.92 31.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.18 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.74 157.16 16.81 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -151.1 147.45 27.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -119.32 148.02 43.64 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.275 0.63 . . . . 0.0 111.641 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -144.45 152.93 41.33 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.213 0.605 . . . . 0.0 111.389 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -75.13 146.73 41.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 135.67 56.56 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.55 -6.67 82.14 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 119.536 -0.591 . . . . 0.0 113.08 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -70.8 162.19 29.6 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -116.68 97.5 50.39 Favored Pre-proline 0 N--CA 1.456 -0.127 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.98 -7.19 20.12 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.637 2.891 . . . . 0.0 112.501 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.522 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 10.4 m-85 -80.38 -8.36 59.48 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -152.97 -20.97 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -81.38 155.42 25.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.687 0.676 . . . . 0.0 111.109 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.22 143.01 48.0 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.32 157.81 58.14 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.242 2.628 . . . . 0.0 109.538 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 m -78.13 -22.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 O-C-N 121.815 -0.553 . . . . 0.0 109.547 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.27 146.6 13.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.02 0.528 . . . . 0.0 109.601 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t -157.11 157.18 34.03 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -82.7 -11.32 58.43 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.061 0.544 . . . . 0.0 111.171 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -64.14 135.86 96.5 Favored Pre-proline 0 N--CA 1.455 -0.195 0 C-N-CA 122.57 0.348 . . . . 0.0 111.703 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.61 -21.59 11.26 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.091 2.528 . . . . 0.0 111.72 174.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -108.51 -25.2 11.05 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 -175.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -73.58 135.3 43.88 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -78.75 173.87 12.03 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m -135.7 161.58 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.258 0.623 . . . . 0.0 111.952 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -54.95 140.97 35.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.969 0.414 . . . . 0.0 111.544 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.99 63.01 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -82.38 -5.63 58.75 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 122.235 -0.291 . . . . 0.0 110.856 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.45 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.9 p -125.53 4.62 7.59 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.92 120.37 10.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -12.82 7.11 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.459 -0.634 . . . . 0.0 113.188 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -92.95 -29.16 16.02 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.336 1.068 . . . . 0.0 111.483 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.4 m-85 -106.35 127.95 53.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.73 141.14 26.45 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.41 154.46 38.78 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.072 0.549 . . . . 0.0 109.686 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.8 mt -131.03 172.35 12.19 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 124.054 0.941 . . . . 0.0 110.199 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.88 -177.47 52.02 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 122.899 0.285 . . . . 0.0 113.107 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.47 142.23 28.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.16 -41.8 81.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.02 0.528 . . . . 0.0 111.056 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -81.77 -6.23 58.87 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.487 0.315 . . . . 0.0 110.803 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -97.13 7.29 46.91 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.299 0.639 . . . . 0.0 111.35 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.65 32.89 21.87 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.469 0.708 . . . . 0.0 112.506 -176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.54 126.82 31.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.965 -0.459 . . . . 0.0 111.095 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.44 14.29 22.59 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.938 0.495 . . . . 0.0 111.065 174.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -53.0 150.23 5.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.363 0.665 . . . . 0.0 110.946 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.0 tp -135.88 150.12 49.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.671 -173.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.9 t -125.43 136.27 53.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.219 0.608 . . . . 0.0 109.58 172.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.78 137.52 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 171.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -126.64 147.54 49.9 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.9 t0 47.96 52.97 12.21 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.21 142.03 44.35 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -136.13 161.78 34.76 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.156 0.982 . . . . 0.0 109.341 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.8 -15.89 24.03 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.02 -4.01 59.0 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.189 0.449 . . . . 0.0 111.499 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -93.18 -17.52 23.62 Favored 'General case' 0 N--CA 1.46 0.073 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -68.43 134.37 50.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.083 0.553 . . . . 0.0 109.711 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.31 -149.19 20.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -125.29 151.94 45.33 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 122.831 0.452 . . . . 0.0 110.956 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -139.9 160.98 38.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.447 1.099 . . . . 0.0 111.219 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -143.77 155.56 44.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -102.57 160.63 14.4 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -140.85 150.39 43.2 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.244 0.474 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.61 133.27 53.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.436 1.094 . . . . 0.0 110.07 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -138.75 130.98 28.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 169.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -154.29 110.51 3.26 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.21 38.55 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -172.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -83.1 -6.84 59.64 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 tpp -68.4 137.11 54.28 Favored 'General case' 0 C--N 1.34 0.181 0 O-C-N 121.937 -0.477 . . . . 0.0 111.078 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -149.1 124.23 10.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.732 1.213 . . . . 0.0 109.333 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.409 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 65.1 t-105 -162.2 130.71 4.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.162 0.437 . . . . 0.0 111.435 174.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.1 m -98.04 130.26 44.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -82.89 76.86 9.7 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.998 1.111 . . . . 0.0 113.998 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -148.93 164.52 34.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.972 0.909 . . . . 0.0 108.721 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.6 p -76.74 157.08 31.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.29 -163.52 1.53 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.196 1.398 . . . . 0.0 110.02 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.07 -48.97 6.26 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.177 1.391 . . . . 0.0 112.748 -177.299 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.36 -15.9 2.79 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -76.67 141.44 40.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.63 141.35 43.22 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.133 0.573 . . . . 0.0 110.938 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.3 t -155.5 164.21 38.99 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -78.65 156.76 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.628 0.771 . . . . 0.0 111.706 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.01 171.53 14.37 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.588 1.155 . . . . 0.0 111.069 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.89 121.88 44.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.514 0.726 . . . . 0.0 110.07 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 56.7 m -99.39 129.0 45.56 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 171.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -106.32 148.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 173.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.25 155.32 46.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -135.44 143.0 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.097 0 C-N-CA 123.002 0.521 . . . . 0.0 110.026 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -141.52 146.03 35.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.39 151.02 39.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 110.798 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.58 -21.93 66.63 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.469 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER 54.45 12.63 0.55 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 172.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 174.54 13.75 Favored 'General case' 0 C--N 1.337 0.057 0 O-C-N 121.576 -0.702 . . . . 0.0 111.614 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.45 ' H ' ' H ' ' A' ' 141' ' ' SER . . . 179.73 -0.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.86 179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.45 ' H ' ' H ' ' A' ' 140' ' ' GLY . 17.7 t -158.65 -167.62 2.19 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.92 0.888 . . . . 0.0 108.774 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.71 2.87 1.65 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.015 0.926 . . . . 0.0 111.788 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.2 t -141.35 139.3 18.7 Favored Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.31 160.64 41.43 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.752 2.968 . . . . 0.0 111.413 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.605 -1.188 . . . . 0.0 110.21 -176.586 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.522 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.409 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.477 0.875 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -152.59 147.91 26.73 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.245 0.618 . . . . 0.0 109.942 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.01 160.08 51.13 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.913 -0.475 . . . . 0.0 111.913 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -71.41 157.7 37.59 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -148.74 169.41 20.51 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.562 0.745 . . . . 0.0 109.939 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -65.29 142.9 58.1 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.942 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -57.88 132.73 54.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 172.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.43 10.41 85.65 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.676 -0.513 . . . . 0.0 112.853 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -57.65 133.11 55.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.629 1.215 . . . . 0.0 110.245 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.95 76.01 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-O 119.324 -0.709 . . . . 0.0 111.995 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -102.13 106.14 16.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.045 0.923 . . . . 0.0 110.365 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.43 159.94 41.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.47 0.653 . . . . 0.0 110.795 176.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -146.46 145.78 30.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.726 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.419 HE22 HD23 ' A' ' 12' ' ' LEU . 22.9 mp0 -126.63 126.51 43.71 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.365 0.666 . . . . 0.0 109.619 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.38 158.17 4.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 122.716 0.406 . . . . 0.0 111.453 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -55.34 128.71 35.44 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.675 0.79 . . . . 0.0 109.72 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.03 -27.73 60.18 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -174.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.7 tp -153.66 124.03 7.06 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.457 HG21 HG22 ' A' ' 29' ' ' VAL . 38.2 t -113.05 128.67 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.2 p -113.94 129.73 56.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 169.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.63 147.23 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.229 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.53 40.14 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -73.94 129.05 37.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.567 -0.708 . . . . 0.0 109.796 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.1 1.11 58.37 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.738 -1.035 . . . . 0.0 114.859 175.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.99 179.15 6.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.351 1.576 . . . . 0.0 111.267 177.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -102.67 169.37 8.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -155.13 153.97 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.287 1.035 . . . . 0.0 110.57 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -108.01 142.93 37.4 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.041 0.936 . . . . 0.0 109.741 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -132.26 112.71 14.39 Favored Pre-proline 0 N--CA 1.456 -0.127 0 C-N-CA 122.935 0.494 . . . . 0.0 110.677 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.13 136.53 20.26 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.701 2.267 . . . . 0.0 110.255 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 49.7 t -150.13 142.58 24.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.313 0.645 . . . . 0.0 110.362 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.1 m -143.23 154.65 44.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.743 0.817 . . . . 0.0 110.448 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -151.02 171.27 17.57 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.608 0.64 . . . . 0.0 112.004 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.3 t -148.81 155.28 40.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.77 161.6 28.71 Favored Pre-proline 0 C--O 1.235 0.321 0 C-N-CA 123.978 0.911 . . . . 0.0 113.456 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.22 151.76 57.46 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.39 2.727 . . . . 0.0 111.654 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.3 pt20 -89.58 35.88 0.83 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 112.309 -176.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.97 157.73 41.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.28 3.25 84.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.253 0.454 . . . . 0.0 112.081 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -151.47 175.02 12.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.573 0.686 . . . . 0.0 111.054 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -144.61 163.12 34.86 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.66 -22.49 65.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.041 0.537 . . . . 0.0 112.27 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.3 m -76.59 -16.22 59.64 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.106 -0.371 . . . . 0.0 111.973 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -97.92 119.94 61.16 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 122.775 0.43 . . . . 0.0 111.39 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.22 153.22 45.79 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.688 2.259 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -75.22 152.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -136.17 130.96 34.01 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.599 171.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.41 157.01 15.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -151.34 147.96 27.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -117.59 147.92 42.39 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.041 0.536 . . . . 0.0 112.099 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.69 153.25 43.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 75.3 mtt-85 -79.81 140.83 36.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.65 138.59 58.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 122.098 -0.376 . . . . 0.0 110.738 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 -5.82 80.85 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 119.158 -0.801 . . . . 0.0 114.141 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -83.63 -176.64 6.39 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.089 1.445 . . . . 0.0 108.11 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -118.6 102.94 49.44 Favored Pre-proline 0 N--CA 1.455 -0.203 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.82 -9.45 25.76 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.136 2.557 . . . . 0.0 111.63 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 8.9 m-85 -87.84 -5.41 58.62 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -132.91 -32.17 1.25 Allowed 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.578 0.626 . . . . 0.0 111.668 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -91.91 156.75 17.25 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.85 150.24 81.21 Favored Pre-proline 0 N--CA 1.453 -0.306 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.16 155.89 60.38 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.035 2.49 . . . . 0.0 109.569 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.26 -20.58 13.41 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 O-C-N 121.88 -0.512 . . . . 0.0 109.995 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.83 146.61 14.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.003 0.521 . . . . 0.0 109.762 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t -159.15 157.2 30.44 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -86.63 -2.73 58.75 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.153 0.581 . . . . 0.0 111.767 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.404 ' HB3' ' H ' ' A' ' 70' ' ' ARG . 6.1 m-20 -64.46 136.23 96.67 Favored Pre-proline 0 N--CA 1.455 -0.183 0 CA-C-N 117.618 0.19 . . . . 0.0 111.363 179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.85 -19.95 12.16 Favored 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 123.207 2.605 . . . . 0.0 111.304 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -112.64 -27.25 8.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' H ' ' HB3' ' A' ' 67' ' ' ASN . 19.7 tpt180 -74.87 138.5 42.52 Favored 'General case' 0 N--CA 1.457 -0.112 0 O-C-N 122.062 -0.398 . . . . 0.0 110.385 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -78.33 173.67 12.07 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.834 0.454 . . . . 0.0 110.756 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -136.32 164.13 32.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 C-N-CA 123.546 0.738 . . . . 0.0 110.988 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -55.67 141.41 38.0 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.6 0.238 . . . . 0.0 111.468 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.61 -23.84 62.63 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -86.36 -3.5 59.0 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.12 -0.362 . . . . 0.0 111.157 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.7 p -124.42 4.59 8.37 Favored 'General case' 0 CA--C 1.524 -0.046 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.2 120.82 11.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.94 -13.93 4.02 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 123.662 0.648 . . . . 0.0 113.075 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -90.72 -30.45 17.07 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 118.72 1.26 . . . . 0.0 111.219 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.1 m-85 -106.04 126.46 52.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 176.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.29 141.29 27.17 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 154.51 39.06 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.447 0.699 . . . . 0.0 109.48 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -131.67 171.68 13.18 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.93 0.892 . . . . 0.0 110.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.03 -178.5 53.79 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 121.035 0.242 . . . . 0.0 113.16 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -88.49 133.28 34.18 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.56 -39.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 111.262 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -82.72 -6.18 59.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.386 0.274 . . . . 0.0 110.702 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -97.35 8.64 44.19 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.197 0.599 . . . . 0.0 111.082 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.74 35.06 25.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.181 0.593 . . . . 0.0 112.438 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -79.02 129.01 33.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.457 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.71 14.06 17.45 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.046 0.538 . . . . 0.0 110.981 174.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -53.11 150.12 6.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.052 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.34 150.27 49.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.503 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.3 t -125.7 136.35 53.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.159 0.584 . . . . 0.0 109.783 172.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.56 136.97 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 96' ' ' ARG . 45.1 mtp180 -127.27 148.12 50.22 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.915 0.486 . . . . 0.0 109.728 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 t0 48.47 50.12 17.27 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 139.28 50.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.403 0.281 . . . . 0.0 111.695 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -137.46 166.33 24.11 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.882 0.873 . . . . 0.0 110.011 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -59.66 -15.88 22.46 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -81.81 -4.68 57.02 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.565 0.621 . . . . 0.0 111.631 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -94.76 -17.72 21.91 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 117.923 0.329 . . . . 0.0 110.242 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -69.75 135.17 49.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.75 -149.58 21.34 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.4 153.07 43.98 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.763 0.425 . . . . 0.0 110.957 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 74.5 m-85 -140.43 160.44 39.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.172 0.989 . . . . 0.0 111.23 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.27 155.93 44.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -102.18 158.18 16.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.424 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.8 ttt85 -137.92 149.42 46.19 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.008 0.367 . . . . 0.0 110.948 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.17 132.01 53.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.765 1.226 . . . . 0.0 110.614 -175.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -138.74 132.31 30.53 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -153.79 112.31 3.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.7 -122.85 30.84 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -84.74 -11.07 56.57 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.242 0.617 . . . . 0.0 111.845 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 tpp -65.32 135.75 55.72 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 122.013 -0.429 . . . . 0.0 111.267 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -146.69 123.55 11.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.857 1.263 . . . . 0.0 109.571 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.459 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 59.6 t-105 -160.36 141.42 12.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.424 ' HB3' HH11 ' A' ' 109' ' ' ARG . 76.1 p -119.42 133.17 55.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -84.39 78.3 9.84 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -174.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -146.75 161.68 40.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -77.79 156.39 30.54 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -139.67 -164.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.348 1.459 . . . . 0.0 109.869 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -49.71 7.5 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.94 1.296 . . . . 0.0 112.939 -176.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.88 -14.5 3.12 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.71 138.96 38.52 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.17 141.3 42.19 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 123.009 0.524 . . . . 0.0 110.277 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 t -154.82 164.38 38.9 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.92 153.76 40.85 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.34 1.056 . . . . 0.0 111.56 -176.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -138.77 166.7 23.73 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.086 0.955 . . . . 0.0 110.779 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.29 121.84 46.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.502 0.721 . . . . 0.0 110.112 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.4 m -99.25 129.8 45.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.94 148.14 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.077 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 172.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.05 155.25 46.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -134.45 142.85 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 122.888 0.475 . . . . 0.0 110.225 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.8 t -141.75 146.62 36.21 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.162 0.585 . . . . 0.0 112.555 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.99 149.94 41.0 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.878 -0.514 . . . . 0.0 111.038 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.8 -25.21 67.14 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.013 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.0 OUTLIER 56.57 -9.5 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 176.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.38 163.28 30.73 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.435 0.694 . . . . 0.0 110.158 173.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 66.38 -143.38 44.2 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 94.6 p -147.81 179.82 7.43 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.444 0.697 . . . . 0.0 110.021 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.42 -0.41 10.24 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.1 137.28 97.07 Favored Pre-proline 0 CA--C 1.529 0.158 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -64.16 136.76 53.4 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.233 2.622 . . . . 0.0 111.097 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.165 -1.398 . . . . 0.0 110.292 -175.478 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.575 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.459 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -80.6 -11.51 59.64 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.57 169.76 53.73 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.51 153.16 44.3 Favored 'General case' 0 C--N 1.334 -0.077 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -157.68 169.37 24.81 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.029 0.531 . . . . 0.0 110.5 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.13 140.0 58.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.131 0.572 . . . . 0.0 109.86 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -57.67 133.43 55.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.88 10.7 86.04 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.908 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.29 130.22 43.59 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.337 1.069 . . . . 0.0 112.479 175.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.21 80.33 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.718 -0.49 . . . . 0.0 111.941 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -102.04 107.3 18.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.864 0.832 . . . . 0.0 108.788 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -143.04 162.44 35.48 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 176.269 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -147.74 146.29 29.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.432 0.693 . . . . 0.0 109.464 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.443 HE22 HD23 ' A' ' 12' ' ' LEU . 22.4 mp0 -126.06 127.02 45.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' H ' ' HG2' ' A' ' 128' ' ' LYS . 8.6 p -152.41 157.25 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.537 0.335 . . . . 0.0 111.492 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -52.83 130.85 34.31 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.895 0.878 . . . . 0.0 110.375 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.77 -30.69 61.54 Favored 'General case' 0 N--CA 1.458 -0.06 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.9 tp -154.17 122.02 5.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.041 0.448 . . . . 0.0 109.979 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 HG22 ' A' ' 29' ' ' VAL . 42.6 t -109.58 128.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.1 p -114.8 128.78 56.49 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 169.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -133.7 147.15 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.221 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.66 155.63 40.28 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 110.601 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -73.8 127.59 33.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 121.445 -0.784 . . . . 0.0 109.618 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.56 1.43 58.99 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 118.871 -0.961 . . . . 0.0 115.077 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.56 -179.99 5.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.342 1.571 . . . . 0.0 111.515 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.6 p -103.55 168.94 8.83 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.29 155.0 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.396 1.078 . . . . 0.0 110.542 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -108.82 142.52 39.27 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 110.089 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.479 HG22 HG21 ' A' ' 19' ' ' VAL . 37.0 t -131.22 112.2 15.61 Favored Pre-proline 0 CA--C 1.528 0.102 0 C-N-CA 123.02 0.528 . . . . 0.0 110.668 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.49 135.98 18.87 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.729 2.286 . . . . 0.0 110.282 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -148.22 147.2 29.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.014 0.525 . . . . 0.0 110.334 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -147.28 155.81 42.38 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 123.25 0.62 . . . . 0.0 110.775 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -150.91 169.45 21.7 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.9 t -147.85 153.54 39.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.857 0.463 . . . . 0.0 111.111 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -154.44 160.36 31.0 Favored Pre-proline 0 N--CA 1.454 -0.265 0 C-N-CA 123.752 0.821 . . . . 0.0 113.105 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -59.35 154.23 48.45 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.164 2.576 . . . . 0.0 111.629 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.7 pt20 -81.75 13.2 3.33 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 151.32 20.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.45 4.94 89.96 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.855 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.488 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.76 174.16 12.48 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.454 1.127 . . . . 0.0 111.258 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -145.04 163.26 34.78 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -59.05 -23.8 62.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -76.27 -16.21 59.84 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -96.76 120.14 62.41 Favored Pre-proline 0 C--O 1.232 0.16 0 C-N-CA 122.87 0.468 . . . . 0.0 111.289 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.63 152.28 37.71 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.954 2.436 . . . . 0.0 110.42 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -72.4 153.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -136.24 128.73 30.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.618 0.247 . . . . 0.0 110.573 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 156.51 16.52 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.599 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -149.96 146.47 27.05 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -118.27 145.95 44.66 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.947 0.499 . . . . 0.0 112.031 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -142.7 153.06 43.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 80.2 mtt-85 -79.28 141.99 36.55 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.86 137.06 57.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.161 -0.337 . . . . 0.0 110.908 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.72 -3.46 86.77 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.012 -0.882 . . . . 0.0 114.417 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -85.26 -177.64 6.55 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.205 1.502 . . . . 0.0 108.498 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -116.79 107.33 46.46 Favored Pre-proline 0 C--N 1.339 0.137 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -71.62 -11.38 27.99 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 123.456 2.771 . . . . 0.0 111.618 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.521 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 9.3 m-85 -85.64 -6.3 59.16 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -135.59 -33.97 0.85 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.736 0.698 . . . . 0.0 111.591 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -90.42 159.03 16.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.44 146.42 65.92 Favored Pre-proline 0 N--CA 1.451 -0.421 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.14 159.1 54.32 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.458 2.772 . . . . 0.0 109.883 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.8 m -79.36 -20.55 12.51 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.075 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.5 146.2 13.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -160.45 156.93 26.79 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -88.58 -5.0 58.46 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.229 0.612 . . . . 0.0 111.788 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.32 136.29 84.15 Favored Pre-proline 0 N--CA 1.454 -0.244 0 CA-C-N 117.819 0.281 . . . . 0.0 110.592 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.22 -23.63 10.14 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.006 2.471 . . . . 0.0 111.393 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -98.61 -28.41 13.57 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -77.79 134.75 37.96 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -82.46 176.47 9.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.39 161.86 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 C-N-CA 122.956 0.502 . . . . 0.0 111.886 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -56.78 142.37 40.89 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 121.059 0.457 . . . . 0.0 111.261 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.64 -23.94 62.62 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -85.36 -3.39 58.82 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.792 0.269 . . . . 0.0 111.199 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.429 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -126.34 5.31 6.99 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.74 119.73 9.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.19 -13.91 5.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.336 -0.702 . . . . 0.0 113.356 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -90.34 -29.62 17.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 118.404 1.102 . . . . 0.0 111.314 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.429 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.3 m-85 -105.49 127.97 53.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 175.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -147.06 142.07 27.03 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.85 154.47 39.46 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.431 0.692 . . . . 0.0 109.431 175.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -133.55 172.66 12.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.963 0.905 . . . . 0.0 110.136 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.47 -178.13 53.2 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 121.186 0.325 . . . . 0.0 113.114 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.45 132.67 33.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.48 -40.0 86.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.393 0.677 . . . . 0.0 111.151 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -82.21 -8.5 59.65 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.572 0.349 . . . . 0.0 110.798 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -95.49 8.59 42.84 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.437 0.695 . . . . 0.0 111.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 56.96 34.03 24.24 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.15 0.58 . . . . 0.0 112.316 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -78.14 126.77 31.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.074 -0.391 . . . . 0.0 111.417 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -111.52 14.56 21.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.2 0.6 . . . . 0.0 111.169 174.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -53.31 150.05 6.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.094 0.558 . . . . 0.0 111.117 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.2 tp -134.9 149.59 50.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.698 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 83' ' ' LEU . 23.5 t -125.4 135.66 52.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.262 0.625 . . . . 0.0 109.592 173.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.08 136.31 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -126.5 147.52 49.82 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.792 0.437 . . . . 0.0 109.839 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 47.61 53.37 11.27 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.92 141.84 43.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -137.24 164.16 29.18 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 124.477 1.111 . . . . 0.0 109.105 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.92 -15.66 33.5 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -173.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -82.31 -4.1 56.58 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.209 0.459 . . . . 0.0 111.793 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -93.71 -16.76 23.91 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -72.42 136.38 46.03 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.884 0.474 . . . . 0.0 109.816 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.36 -148.19 19.14 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.1 t -126.97 151.46 48.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.713 0.405 . . . . 0.0 110.887 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 73.8 m-85 -139.1 162.26 35.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.321 1.048 . . . . 0.0 110.776 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -144.56 157.77 44.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -104.22 160.08 15.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -139.84 148.0 41.51 Favored 'General case' 0 C--N 1.335 -0.026 0 CA-C-N 118.184 0.447 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.5 tp -121.08 134.39 55.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.45 1.1 . . . . 0.0 110.084 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.6 132.49 29.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 169.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -155.09 110.95 3.14 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -123.12 32.15 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -83.68 -11.92 56.58 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.05 0.54 . . . . 0.0 111.757 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.8 tpp -66.09 136.95 56.69 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 121.828 -0.545 . . . . 0.0 111.681 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -148.41 124.01 10.43 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.067 1.347 . . . . 0.0 109.331 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.454 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.4 t-105 -160.79 127.58 4.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.354 0.525 . . . . 0.0 111.361 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -96.0 133.09 40.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.199 0.6 . . . . 0.0 109.456 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -84.25 78.57 9.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -146.69 158.09 43.83 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.453 1.101 . . . . 0.0 109.029 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.0 t -81.29 150.28 28.6 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.96 -163.18 1.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.223 1.409 . . . . 0.0 110.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -48.6 5.34 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 125.392 1.477 . . . . 0.0 113.187 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 -13.09 3.22 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -78.2 142.39 37.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -138.49 140.07 39.04 Favored 'General case' 0 C--N 1.337 0.057 0 C-N-CA 122.801 0.441 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 t -155.21 164.75 38.38 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 15' ' ' VAL . 16.1 tppt? -72.63 153.44 41.23 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -175.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.4 168.34 19.82 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.255 1.022 . . . . 0.0 110.986 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.9 tp -113.38 127.88 56.27 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.443 0.697 . . . . 0.0 109.847 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.1 m -103.89 133.36 49.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.13 148.34 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.21 45.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.97 142.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 C-N-CA 122.879 0.472 . . . . 0.0 110.189 -176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.42 146.31 36.39 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.71 149.36 39.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 122.22 -0.3 . . . . 0.0 110.885 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.44 -22.6 66.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 173.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.316 1.2 t 54.43 15.16 0.93 Allowed 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 173.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -134.32 -4.32 2.68 Favored 'General case' 0 CA--C 1.528 0.126 0 O-C-N 121.844 -0.535 . . . . 0.0 111.748 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -67.35 -11.94 60.16 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.8 m -79.38 4.8 14.29 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 117.37 0.585 . . . . 0.0 111.882 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 61.9 mt 60.49 10.29 2.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.046 0.938 . . . . 0.0 112.941 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 61.58 130.1 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 125.147 1.379 . . . . 0.0 114.297 -175.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.03 156.81 62.68 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.173 2.582 . . . . 0.0 110.411 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.13 -1.414 . . . . 0.0 110.294 -174.189 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.521 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.454 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -68.67 -12.79 61.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.684 0.393 . . . . 0.0 111.69 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.21 -1.68 83.96 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 123.168 0.413 . . . . 0.0 112.478 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -66.04 152.44 44.64 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -70.75 168.14 17.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.465 0.706 . . . . 0.0 111.298 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -65.01 139.84 58.79 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.944 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 12.0 t80 -58.56 134.43 56.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 172.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.36 9.03 87.37 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.597 -0.557 . . . . 0.0 112.543 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -57.06 132.32 52.54 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.62 1.21 . . . . 0.0 112.26 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 -8.4 75.23 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 119.553 -0.582 . . . . 0.0 111.958 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.65 103.29 14.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 117.807 0.804 . . . . 0.0 110.777 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -140.69 160.59 39.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.503 0.668 . . . . 0.0 110.62 176.299 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -146.85 146.33 30.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.568 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.428 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -126.06 126.81 44.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.19 157.57 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.664 0.269 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -53.03 130.77 34.91 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.711 0.804 . . . . 0.0 110.159 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.06 -29.4 60.72 Favored 'General case' 0 C--O 1.23 0.07 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -155.5 121.75 5.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.996 0.427 . . . . 0.0 110.24 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.482 HG21 HG22 ' A' ' 29' ' ' VAL . 45.1 t -109.24 121.83 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 p -106.02 127.26 53.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.37 144.85 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.04 155.87 39.84 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 110.768 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -72.17 128.22 34.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.668 -0.645 . . . . 0.0 110.032 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.4 1.99 60.5 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 118.81 -0.995 . . . . 0.0 114.78 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.06 179.22 6.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.387 1.593 . . . . 0.0 111.69 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -103.62 168.29 9.24 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -175.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -155.0 148.92 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.211 1.004 . . . . 0.0 111.044 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -102.2 142.57 33.23 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.705 0.802 . . . . 0.0 110.047 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 HG21 ' A' ' 19' ' ' VAL . 41.2 t -131.2 111.47 15.49 Favored Pre-proline 0 N--CA 1.455 -0.176 0 C-N-CA 122.993 0.517 . . . . 0.0 110.683 177.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.75 135.71 19.95 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.874 2.382 . . . . 0.0 110.1 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.0 t -148.61 147.01 28.49 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.774 0.43 . . . . 0.0 110.363 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.5 t -148.18 155.63 41.62 Favored 'General case' 0 C--N 1.335 -0.042 0 C-N-CA 122.788 0.435 . . . . 0.0 110.268 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -150.86 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.274 0.559 . . . . 0.0 112.492 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -148.19 154.58 40.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.45 159.96 31.92 Favored Pre-proline 0 N--CA 1.455 -0.222 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.96 152.05 53.45 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.177 2.585 . . . . 0.0 111.973 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.3 pt20 -89.83 36.11 0.85 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 123.585 0.754 . . . . 0.0 112.494 -176.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.65 155.61 45.57 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.84 4.4 82.38 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.654 -0.526 . . . . 0.0 112.244 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -152.07 174.98 13.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 117.732 0.766 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -143.18 162.62 35.11 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -61.41 -21.36 64.03 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -76.18 -23.38 54.69 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.513 0.325 . . . . 0.0 111.358 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -89.56 121.15 69.45 Favored Pre-proline 0 N--CA 1.454 -0.228 0 CA-C-O 119.066 -0.492 . . . . 0.0 111.42 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.95 153.54 42.1 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.726 2.284 . . . . 0.0 110.505 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.39 151.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -136.15 129.83 32.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.159 0.504 . . . . 0.0 110.474 172.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.38 157.79 15.72 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -151.8 148.28 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -118.1 148.06 42.67 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -145.69 155.95 43.32 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.365 0.666 . . . . 0.0 111.773 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.2 mtm180 -86.62 145.76 26.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.95 140.75 57.69 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.36 -3.33 85.15 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-O 118.986 -0.897 . . . . 0.0 114.625 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.3 p30 -87.08 -170.55 3.11 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.31 1.555 . . . . 0.0 107.984 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -125.05 105.07 29.19 Favored Pre-proline 0 CA--C 1.528 0.103 0 C-N-CA 123.263 0.625 . . . . 0.0 109.515 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.36 -10.4 26.99 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 123.525 2.817 . . . . 0.0 111.701 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.611 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 7.7 m-85 -86.49 -5.39 59.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -134.02 -34.65 0.98 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.658 0.663 . . . . 0.0 111.294 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -90.76 154.86 19.23 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.28 151.17 85.58 Favored Pre-proline 0 N--CA 1.453 -0.291 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -70.91 155.18 62.59 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.133 2.555 . . . . 0.0 110.041 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 m -77.62 -20.57 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.06 148.08 13.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.669 0.387 . . . . 0.0 109.994 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t -158.59 157.9 32.86 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 122.35 0.26 . . . . 0.0 111.46 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -86.89 -4.4 59.17 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.295 0.638 . . . . 0.0 111.717 174.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.62 135.32 96.22 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 118.313 0.506 . . . . 0.0 111.23 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -77.91 -20.43 11.74 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.111 2.54 . . . . 0.0 111.653 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -112.44 -25.53 9.15 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 -174.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -74.93 139.43 43.03 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 117.96 0.346 . . . . 0.0 110.301 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -79.37 173.36 12.66 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 121.092 0.472 . . . . 0.0 110.401 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.13 164.85 30.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.086 0 C-N-CA 123.83 0.852 . . . . 0.0 110.74 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.68 139.01 40.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -20.9 63.2 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.324 0.25 . . . . 0.0 111.436 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -89.03 -2.12 58.42 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.694 0.398 . . . . 0.0 111.295 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.0 p -126.27 5.15 7.04 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.49 120.74 11.69 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -175.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.35 -14.44 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.441 -0.644 . . . . 0.0 112.898 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -88.75 -31.28 18.49 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.519 1.159 . . . . 0.0 110.85 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.6 m-85 -107.46 126.58 52.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 176.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -146.71 141.92 27.29 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.19 154.45 39.05 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.369 0.668 . . . . 0.0 109.78 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -131.33 172.24 12.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.002 0.921 . . . . 0.0 110.188 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.79 -179.23 52.76 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 121.066 0.259 . . . . 0.0 112.903 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.39 132.9 33.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.97 -39.81 85.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.544 0.738 . . . . 0.0 111.072 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -82.52 -7.3 59.64 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.469 0.308 . . . . 0.0 110.91 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -96.88 8.92 43.32 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.251 0.62 . . . . 0.0 111.108 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 56.86 34.14 24.29 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.271 0.629 . . . . 0.0 112.209 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.2 128.01 32.76 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.089 -0.382 . . . . 0.0 111.808 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.474 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -113.95 14.59 18.5 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 123.283 0.633 . . . . 0.0 111.153 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.7 m -52.96 150.26 5.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.926 0.49 . . . . 0.0 110.941 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.7 tp -135.65 149.05 49.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.636 -174.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.476 ' HB2' HD11 ' A' ' 83' ' ' LEU . 20.6 t -124.05 134.29 53.45 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.33 0.652 . . . . 0.0 109.698 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.7 136.69 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.12 149.01 50.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.37 53.18 12.35 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 143.79 37.12 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -138.12 161.7 36.1 Favored 'General case' 0 CA--C 1.523 -0.079 0 C-N-CA 124.25 1.02 . . . . 0.0 109.447 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.69 -15.3 27.46 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -85.19 -2.42 58.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.971 0.509 . . . . 0.0 111.591 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -95.83 -18.5 20.33 Favored 'General case' 0 C--N 1.338 0.095 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.63 136.68 54.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.997 0.519 . . . . 0.0 109.868 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.36 -150.53 22.37 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.3 t -123.08 152.82 40.68 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.035 0.534 . . . . 0.0 110.601 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.533 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 59.0 m-85 -137.2 157.91 45.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.669 1.188 . . . . 0.0 112.608 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -144.03 153.39 42.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -101.58 157.43 16.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -136.29 149.79 48.61 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 122.644 0.378 . . . . 0.0 111.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tp -127.4 131.78 50.24 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.514 1.125 . . . . 0.0 110.178 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.34 131.35 27.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -154.11 112.19 3.54 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.22 -125.22 38.38 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.1 t -83.17 -11.28 58.04 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.875 0.47 . . . . 0.0 111.809 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.6 tpp -64.66 135.48 55.96 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 121.748 -0.595 . . . . 0.0 111.434 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -145.62 124.63 12.79 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.714 1.206 . . . . 0.0 109.251 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.437 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.3 t-105 -161.82 150.47 15.44 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.9 p -133.81 136.26 44.35 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.12 78.34 9.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -170.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -148.05 154.36 40.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -65.11 156.15 32.55 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.19 -165.14 1.95 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.267 1.427 . . . . 0.0 109.474 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.455 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.72 -48.82 20.26 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.047 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.66 -13.57 3.3 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.75 0.42 . . . . 0.0 111.937 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -75.49 142.68 42.84 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -139.23 138.23 36.65 Favored 'General case' 0 CA--C 1.524 -0.051 0 C-N-CA 123.188 0.595 . . . . 0.0 110.25 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 t -154.56 166.12 34.33 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.7 153.2 43.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.872 1.269 . . . . 0.0 112.037 -174.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -139.08 168.46 19.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.226 1.011 . . . . 0.0 110.626 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 19.3 tp -114.89 123.77 50.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.494 0.718 . . . . 0.0 109.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 73.8 m -99.48 131.98 45.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 170.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.46 148.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.66 155.07 46.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.23 143.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.627 0.371 . . . . 0.0 110.179 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -142.18 145.77 34.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.2 0.6 . . . . 0.0 112.475 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.19 149.61 40.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.018 -0.426 . . . . 0.0 111.0 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.43 -33.74 76.58 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.865 0.466 . . . . 0.0 110.19 176.247 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.323 0.8 OUTLIER 53.73 11.4 0.31 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 176.319 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.15 15.1 1.68 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -177.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.6 15.12 80.7 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.086 -0.841 . . . . 0.0 114.72 172.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 96.8 p -146.14 158.67 43.88 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.776 1.288 . . . . 0.0 111.198 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.97 8.81 5.0 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.7 0.8 . . . . 0.0 112.54 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' ' 145' ' ' ARG . 45.9 t -67.73 129.64 93.3 Favored Pre-proline 0 CA--C 1.529 0.171 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.86 3.26 5.7 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 124.169 3.246 . . . . 0.0 113.065 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.499 ' H ' HG12 ' A' ' 143' ' ' VAL . 84.2 mmt-85 . . . . . 0 C--O 1.252 1.19 0 CA-C-O 117.013 -1.47 . . . . 0.0 110.722 -176.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.611 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.437 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mtp . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.882 -0.044 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -69.11 159.87 32.11 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.098 0.559 . . . . 0.0 111.314 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.86 -175.41 46.73 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -71.13 162.38 29.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -153.08 169.37 23.12 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.483 0.713 . . . . 0.0 110.412 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.18 138.51 58.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.305 0.642 . . . . 0.0 109.942 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.24 133.75 52.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.46 11.63 85.3 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 119.7 -0.5 . . . . 0.0 113.062 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -54.89 130.5 41.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.513 1.157 . . . . 0.0 112.64 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.75 -7.68 81.36 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.36 -0.689 . . . . 0.0 112.088 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -101.42 104.28 15.22 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.029 0.915 . . . . 0.0 110.219 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.86 162.93 34.25 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.307 0.575 . . . . 0.0 110.665 176.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.46 146.55 28.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.697 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.419 HE22 HD23 ' A' ' 12' ' ' LEU . 22.2 mp0 -129.3 131.66 47.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -152.91 159.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 110.321 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.63 128.42 32.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -76.09 -26.61 56.63 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -155.3 122.36 5.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.855 0.462 . . . . 0.0 109.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.527 HG21 HG22 ' A' ' 29' ' ' VAL . 42.7 t -110.12 124.85 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -109.08 128.76 55.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.87 146.1 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.34 156.37 39.16 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.179 0.514 . . . . 0.0 110.851 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -73.48 128.54 35.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.721 -0.612 . . . . 0.0 110.019 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.01 2.29 60.99 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.723 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.16 178.35 6.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.487 1.644 . . . . 0.0 111.508 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -101.66 168.91 9.17 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -154.41 154.07 7.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.281 1.032 . . . . 0.0 110.698 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -107.34 141.95 37.9 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.638 0.775 . . . . 0.0 109.695 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG22 HG21 ' A' ' 19' ' ' VAL . 36.9 t -130.42 111.51 16.54 Favored Pre-proline 0 N--CA 1.455 -0.211 0 C-N-CA 123.12 0.568 . . . . 0.0 110.726 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.1 135.81 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.771 2.314 . . . . 0.0 110.305 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.8 t -148.64 147.94 29.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.747 0.419 . . . . 0.0 110.352 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -147.88 155.54 41.72 Favored 'General case' 0 C--O 1.23 0.04 0 C-N-CA 123.486 0.714 . . . . 0.0 110.365 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -150.68 169.72 20.94 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 t -146.82 152.81 39.36 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 122.78 0.432 . . . . 0.0 110.756 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -153.63 159.98 31.47 Favored Pre-proline 0 C--O 1.232 0.162 0 C-N-CA 124.018 0.927 . . . . 0.0 113.303 -175.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.33 153.38 53.97 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.349 2.699 . . . . 0.0 111.522 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.6 pt20 -82.83 14.35 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -92.65 149.62 21.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.47 5.28 87.09 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.157 -0.802 . . . . 0.0 113.061 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.499 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -149.07 173.77 13.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.652 1.226 . . . . 0.0 111.197 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -143.63 162.28 36.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.16 -22.85 61.59 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -75.21 -22.31 58.03 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 122.212 -0.305 . . . . 0.0 111.581 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -89.66 120.94 69.52 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 122.831 0.452 . . . . 0.0 111.729 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 153.55 39.71 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.089 2.526 . . . . 0.0 110.171 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.12 153.26 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -135.94 127.77 29.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.88 157.44 17.31 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -151.08 148.35 28.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -122.12 148.55 44.76 Favored 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 122.978 0.511 . . . . 0.0 111.831 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -145.57 154.39 42.11 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.063 0.545 . . . . 0.0 110.746 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -75.78 147.53 39.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.39 137.06 58.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.28 -5.64 82.75 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.505 -0.608 . . . . 0.0 112.959 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -72.72 168.26 19.12 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.2 mmt-85 -122.91 97.71 43.5 Favored Pre-proline 0 C--O 1.232 0.134 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.4 -7.44 20.95 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.702 2.935 . . . . 0.0 112.583 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.533 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 11.1 m-85 -82.77 -4.66 58.26 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -152.57 -23.67 0.17 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -82.48 156.41 24.09 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.399 0.545 . . . . 0.0 111.164 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.86 145.81 58.31 Favored Pre-proline 0 N--CA 1.455 -0.192 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.18 156.78 55.01 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.237 2.625 . . . . 0.0 109.83 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -77.25 -22.79 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 O-C-N 121.843 -0.536 . . . . 0.0 109.579 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.95 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.144 0.578 . . . . 0.0 109.545 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.2 t -157.67 157.55 33.77 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.881 0.372 . . . . 0.0 111.729 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.45 -11.17 59.32 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.067 0.547 . . . . 0.0 111.318 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -62.72 133.78 95.13 Favored Pre-proline 0 C--N 1.34 0.159 0 CA-C-N 117.996 0.362 . . . . 0.0 111.347 -178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.42 -20.08 12.71 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.131 2.554 . . . . 0.0 111.614 174.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -110.37 -25.27 10.17 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -76.07 139.36 41.35 Favored 'General case' 0 N--CA 1.458 -0.056 0 O-C-N 122.04 -0.413 . . . . 0.0 110.362 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -79.1 174.43 11.57 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.891 0.476 . . . . 0.0 110.481 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.96 162.93 35.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 123.238 0.615 . . . . 0.0 111.513 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -53.74 141.18 27.45 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.496 0.318 . . . . 0.0 111.276 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.66 -25.92 63.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -82.34 -5.06 58.35 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.923 0.329 . . . . 0.0 110.878 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.437 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -124.59 4.57 8.25 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 178.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.96 121.04 11.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -8.32 20.17 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.24 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -99.16 -29.3 12.93 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.345 1.073 . . . . 0.0 111.645 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.437 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.0 m-85 -104.52 127.74 52.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.38 139.21 25.46 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.6 154.42 38.56 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.074 0.549 . . . . 0.0 109.794 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.8 mt -131.51 173.17 11.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.248 1.019 . . . . 0.0 110.076 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.66 -179.03 52.77 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 121.212 0.34 . . . . 0.0 113.143 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.77 131.77 34.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.38 -38.7 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.447 0.699 . . . . 0.0 111.042 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.48 -5.49 59.18 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.66 0.384 . . . . 0.0 110.999 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -100.43 10.53 41.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.352 0.661 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 57.11 33.44 23.33 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.303 0.641 . . . . 0.0 112.473 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -78.55 128.31 33.36 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.587 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -112.81 15.1 19.94 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.152 0.581 . . . . 0.0 111.084 174.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.7 m -53.44 150.44 6.59 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.011 0.524 . . . . 0.0 111.063 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -135.82 150.52 49.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.382 -174.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.525 ' HB2' HD11 ' A' ' 83' ' ' LEU . 27.0 t -127.08 133.74 50.38 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.978 0.511 . . . . 0.0 109.763 172.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -103.64 137.99 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -126.99 146.38 50.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.079 0.552 . . . . 0.0 109.88 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 48.52 53.26 12.38 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 141.71 45.03 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -137.68 163.84 30.3 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.161 0.984 . . . . 0.0 109.567 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.2 -16.35 32.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -171.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.29 -7.08 59.62 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.224 0.466 . . . . 0.0 111.48 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -90.55 -18.74 24.72 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.97 134.76 49.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.936 0.494 . . . . 0.0 109.821 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.45 -147.51 17.49 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.1 t -127.51 152.48 47.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.983 0.513 . . . . 0.0 110.642 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -139.79 161.03 38.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.455 1.102 . . . . 0.0 111.479 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -144.1 155.64 44.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -102.87 160.61 14.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -140.78 150.41 43.31 Favored 'General case' 0 C--N 1.335 -0.053 0 O-C-N 121.952 -0.468 . . . . 0.0 110.512 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -124.01 134.84 53.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.438 1.095 . . . . 0.0 110.255 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -139.97 131.97 27.82 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -153.92 111.65 3.51 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.47 -124.43 35.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -82.56 -11.42 58.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.172 0.589 . . . . 0.0 111.88 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.9 tpp -65.64 137.01 57.05 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 121.809 -0.557 . . . . 0.0 111.519 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.12 124.75 11.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.612 1.165 . . . . 0.0 109.503 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.462 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.2 t-105 -160.98 127.62 4.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 118.276 0.489 . . . . 0.0 111.182 175.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 m -96.16 130.09 43.29 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 123.102 0.561 . . . . 0.0 109.54 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -82.17 77.46 8.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -146.42 162.68 37.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.4 p -77.88 156.61 30.25 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.64 -164.21 1.69 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.247 1.419 . . . . 0.0 110.111 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -49.43 7.58 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 125.492 1.517 . . . . 0.0 113.007 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -15.26 3.1 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -79.04 137.52 37.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -135.21 141.45 45.82 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 122.916 0.486 . . . . 0.0 110.413 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 t -153.2 162.04 41.75 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.6 155.63 33.39 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.554 0.742 . . . . 0.0 111.769 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -136.2 171.31 14.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 124.528 1.131 . . . . 0.0 110.938 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.61 123.25 49.49 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.753 0.821 . . . . 0.0 109.993 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 m -100.23 131.38 46.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 170.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.43 148.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.51 154.96 47.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.39 142.84 40.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 122.982 0.513 . . . . 0.0 110.446 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -142.67 145.29 33.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.267 0.627 . . . . 0.0 112.687 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.65 41.56 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.904 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.83 -19.28 65.83 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.127 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.33 1.1 t 53.89 18.02 1.5 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 117.108 2.262 . . . . 0.0 117.108 173.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -146.37 171.39 15.08 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 121.883 -0.511 . . . . 0.0 110.415 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -178.08 177.22 48.35 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.0 t -156.15 -176.54 6.02 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.024 0.529 . . . . 0.0 109.659 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.83 -9.75 55.89 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.131 0.972 . . . . 0.0 111.91 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 62.76 133.52 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 125.434 1.494 . . . . 0.0 114.256 -177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.14 124.05 15.28 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.969 2.446 . . . . 0.0 111.044 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 47.7 mtm105 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.727 -177.014 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.533 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.462 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 tpp . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -76.09 -5.82 48.31 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.41 -166.47 54.6 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -158.04 164.06 37.09 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -154.88 170.02 22.65 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.06 0.544 . . . . 0.0 110.57 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.01 140.52 58.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.28 0.632 . . . . 0.0 109.82 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.67 132.89 54.6 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.14 12.22 84.82 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.833 -0.426 . . . . 0.0 113.189 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -55.85 129.62 40.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.436 1.118 . . . . 0.0 112.573 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.07 -6.52 83.56 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.51 -0.605 . . . . 0.0 111.873 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -101.9 104.01 14.7 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.693 0.746 . . . . 0.0 110.388 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.448 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.01 162.58 35.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.152 0.501 . . . . 0.0 110.832 176.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -147.7 146.81 29.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.11 -174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.448 HE22 HD23 ' A' ' 12' ' ' LEU . 21.7 mp0 -129.66 131.02 46.28 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.14 0.576 . . . . 0.0 109.552 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -152.74 160.23 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 122.943 0.497 . . . . 0.0 110.642 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.51 128.53 32.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -76.58 -27.55 55.86 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.43 122.35 5.92 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.854 0.461 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.493 HG21 HG22 ' A' ' 29' ' ' VAL . 42.9 t -110.1 124.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -109.0 127.98 54.55 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 173.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.05 146.02 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.63 156.78 38.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.977 0.418 . . . . 0.0 110.843 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -73.32 128.16 34.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.821 -0.549 . . . . 0.0 109.903 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 1.75 59.91 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.618 -1.101 . . . . 0.0 114.56 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 179.6 5.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.448 1.624 . . . . 0.0 111.425 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.9 p -103.3 169.51 8.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -175.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -156.22 149.08 11.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.178 0.991 . . . . 0.0 110.64 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -101.72 144.22 30.68 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.712 0.805 . . . . 0.0 109.583 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 19' ' ' VAL . 40.7 t -132.3 111.79 14.15 Favored Pre-proline 0 C--N 1.334 -0.069 0 C-N-CA 123.276 0.63 . . . . 0.0 110.897 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.57 136.21 18.99 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.905 2.403 . . . . 0.0 110.182 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.9 t -148.61 147.75 29.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.092 0.557 . . . . 0.0 110.329 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -148.02 155.53 41.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.313 0.645 . . . . 0.0 110.34 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -150.81 168.45 24.4 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 t -145.55 152.99 40.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.104 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -153.0 158.45 32.88 Favored Pre-proline 0 CA--C 1.529 0.152 0 C-N-CA 124.605 1.162 . . . . 0.0 112.856 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -62.82 153.32 73.51 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.773 2.315 . . . . 0.0 110.548 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.4 pt20 -80.24 13.95 2.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -91.14 149.6 21.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.38 4.76 87.7 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.231 -0.76 . . . . 0.0 113.456 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -148.85 174.61 12.04 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.594 1.197 . . . . 0.0 111.22 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -144.8 162.35 36.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.89 -22.31 62.2 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.4 t -75.51 -19.23 59.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.134 -0.354 . . . . 0.0 111.523 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -94.39 121.81 62.64 Favored Pre-proline 0 N--CA 1.455 -0.188 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.99 153.77 37.42 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.935 2.423 . . . . 0.0 110.478 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.76 151.97 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 -136.26 122.87 20.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.003 -0.435 . . . . 0.0 110.081 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.66 159.72 18.3 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.75 149.06 28.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -122.19 147.7 45.85 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -145.18 153.77 41.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.058 0.543 . . . . 0.0 110.964 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -75.67 146.99 39.79 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.58 136.07 57.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.23 -7.23 80.86 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.497 -0.613 . . . . 0.0 112.905 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -70.46 160.73 31.84 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -113.02 97.44 42.26 Favored Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.65 -9.06 25.2 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.646 2.898 . . . . 0.0 112.898 -171.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.522 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 6.7 m-85 -83.15 -6.58 59.53 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.43 -21.6 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -84.33 156.43 21.9 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 118.363 0.529 . . . . 0.0 110.683 174.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.86 143.45 53.79 Favored Pre-proline 0 N--CA 1.451 -0.392 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -71.08 158.86 54.0 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.23 2.62 . . . . 0.0 109.578 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -79.33 -21.88 12.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 O-C-N 121.894 -0.504 . . . . 0.0 109.715 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.06 146.72 14.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.946 0.498 . . . . 0.0 109.72 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -157.25 157.62 34.6 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.19 0.306 . . . . 0.0 111.722 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -80.9 -15.91 55.01 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.908 0.483 . . . . 0.0 111.41 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -69.77 134.94 87.96 Favored Pre-proline 0 N--CA 1.455 -0.176 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.7 -24.46 11.73 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.567 2.845 . . . . 0.0 111.429 173.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -95.53 -28.45 14.86 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -77.04 134.28 38.84 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -79.72 174.7 11.32 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.17 162.03 36.67 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 C-N-CA 123.017 0.527 . . . . 0.0 111.945 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -55.09 140.9 36.57 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 111.39 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -24.85 63.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.673 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -82.67 -5.93 59.11 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.765 0.257 . . . . 0.0 111.033 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.444 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -125.25 5.83 7.78 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.95 119.87 9.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.06 -14.41 4.82 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 123.663 0.649 . . . . 0.0 113.526 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -89.58 -30.02 18.47 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.4 1.1 . . . . 0.0 111.273 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.7 m-85 -103.34 127.64 50.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -138.61 135.71 35.22 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 154.0 39.03 Favored 'General case' 0 C--N 1.335 -0.065 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -136.5 174.0 11.1 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.44 0.696 . . . . 0.0 110.337 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.04 -177.95 52.86 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 122.965 0.317 . . . . 0.0 112.411 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -87.01 130.96 34.23 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.33 -38.64 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.394 0.677 . . . . 0.0 110.776 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -83.51 -4.22 58.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.475 0.31 . . . . 0.0 111.004 -175.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -101.14 10.4 40.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 56.25 34.47 24.07 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.486 0.714 . . . . 0.0 112.312 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.67 127.85 32.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 174.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.1 p -113.03 15.07 19.7 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.019 0.528 . . . . 0.0 110.987 175.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -52.64 150.24 5.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.041 0.537 . . . . 0.0 111.354 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.2 tp -135.23 151.64 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.296 0.639 . . . . 0.0 110.342 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 83' ' ' LEU . 11.9 t -126.83 138.88 53.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.459 0.704 . . . . 0.0 109.548 172.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -111.54 135.9 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -126.36 147.5 49.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.714 0.406 . . . . 0.0 110.02 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.8 t0 47.76 53.12 11.78 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.91 142.68 40.5 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -136.82 163.0 31.66 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.299 1.04 . . . . 0.0 109.294 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.39 -15.06 22.47 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.99 -6.08 59.35 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.239 0.472 . . . . 0.0 111.774 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -91.68 -17.71 25.06 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -70.21 135.31 48.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.777 0.431 . . . . 0.0 109.95 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.21 -148.18 19.13 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.7 t -126.09 152.84 45.33 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.875 0.47 . . . . 0.0 110.679 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -140.73 161.39 37.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.098 0.959 . . . . 0.0 111.135 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -144.26 155.31 43.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -101.76 159.17 15.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -142.32 152.25 42.76 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.119 0.418 . . . . 0.0 110.822 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -128.58 137.17 51.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.76 0.824 . . . . 0.0 111.27 -171.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -139.79 136.2 33.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.877 0.871 . . . . 0.0 109.122 168.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.36 110.38 3.0 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -123.71 34.17 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -82.46 -11.0 58.8 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.011 0.524 . . . . 0.0 112.074 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -65.67 136.52 56.4 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.26 0.482 . . . . 0.0 111.486 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.94 123.41 10.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.894 1.278 . . . . 0.0 109.117 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.439 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.9 t-105 -159.88 132.2 6.44 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 118.319 0.509 . . . . 0.0 110.994 175.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.6 m -100.65 128.48 46.68 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -82.22 78.23 8.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -147.05 152.26 38.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.214 0.606 . . . . 0.0 110.139 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.8 p -71.19 151.59 44.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -144.71 -158.44 0.89 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.206 0.603 . . . . 0.0 109.651 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.39 -50.54 16.46 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.192 0.997 . . . . 0.0 112.694 -174.014 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.26 -18.41 2.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -75.15 141.07 43.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -138.28 141.45 39.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.765 0.426 . . . . 0.0 110.043 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.5 t -155.1 162.78 40.92 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -76.29 157.49 32.47 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.476 0.71 . . . . 0.0 112.006 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -136.6 171.15 14.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.352 1.061 . . . . 0.0 111.14 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -113.83 124.53 52.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.75 0.82 . . . . 0.0 109.627 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.5 m -101.74 131.29 48.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.6 t -108.91 148.12 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.26 154.39 46.84 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.464 -1.309 . . . . 0.0 107.464 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -133.31 142.39 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 122.921 0.488 . . . . 0.0 110.297 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.92 146.46 35.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.87 150.54 39.16 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 111.233 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.614 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.22 65.75 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.472 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER 54.07 14.53 0.73 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 171.813 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.05 19.84 1.94 Allowed 'General case' 0 CA--C 1.529 0.156 0 O-C-N 121.664 -0.648 . . . . 0.0 112.317 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 167.43 174.0 36.1 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.6 p -80.72 177.33 9.09 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.272 0.629 . . . . 0.0 110.223 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.25 -5.47 27.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.476 0.311 . . . . 0.0 111.786 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.6 134.45 86.38 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.67 160.14 50.72 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.229 2.619 . . . . 0.0 111.272 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 . . . . . 0 C--O 1.252 1.19 0 CA-C-O 117.178 -1.391 . . . . 0.0 110.061 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.522 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.439 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.415 0.15 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.36 -5.4 52.14 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.614 0.366 . . . . 0.0 111.834 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.3 174.39 49.96 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.263 0.458 . . . . 0.0 112.069 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -65.26 152.0 44.79 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -71.76 168.51 17.65 Favored 'General case' 0 CA--C 1.526 0.051 0 C-N-CA 123.483 0.713 . . . . 0.0 110.885 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -63.75 143.11 58.1 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.835 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -57.84 134.13 56.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.68 8.52 86.27 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.905 -0.386 . . . . 0.0 113.091 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -57.82 132.48 53.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.325 1.062 . . . . 0.0 110.927 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.32 -9.42 77.53 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-O 119.511 -0.605 . . . . 0.0 112.06 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.11 105.54 16.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.692 0.746 . . . . 0.0 110.179 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.423 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.89 161.27 38.39 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.411 0.625 . . . . 0.0 110.552 176.476 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -146.12 147.03 31.12 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.368 0.667 . . . . 0.0 109.91 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.423 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.24 129.36 43.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.136 0.574 . . . . 0.0 109.747 176.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.75 160.04 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 122.991 0.517 . . . . 0.0 110.129 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -56.42 128.05 34.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -76.6 -26.0 54.53 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -153.96 122.99 6.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 109.937 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG21 HG22 ' A' ' 29' ' ' VAL . 41.0 t -112.53 127.76 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.74 128.98 56.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 169.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.4 p -133.85 146.93 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.428 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.04 155.76 39.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 110.372 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -73.12 127.28 32.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.62 1.51 57.64 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.647 -1.085 . . . . 0.0 114.903 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.43 179.55 6.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.418 1.609 . . . . 0.0 111.454 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -102.58 167.45 9.91 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.34 148.94 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 123.972 0.909 . . . . 0.0 110.664 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.4 t-80 -101.85 142.9 32.45 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.612 0.765 . . . . 0.0 109.762 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.503 HG22 HG21 ' A' ' 19' ' ' VAL . 47.5 t -131.31 111.78 15.42 Favored Pre-proline 0 C--N 1.338 0.092 0 C-N-CA 122.945 0.498 . . . . 0.0 110.731 177.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.21 135.82 19.18 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.034 2.489 . . . . 0.0 109.961 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -148.39 147.26 29.01 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.973 0.509 . . . . 0.0 109.918 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.8 t -148.19 155.85 41.88 Favored 'General case' 0 N--CA 1.46 0.043 0 C-N-CA 123.683 0.793 . . . . 0.0 110.244 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -151.5 170.15 20.32 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 t -147.77 153.98 39.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.926 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -152.63 160.6 30.93 Favored Pre-proline 0 CA--C 1.53 0.182 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -174.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.61 151.77 52.66 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.409 2.74 . . . . 0.0 111.751 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.1 pt20 -90.24 36.07 0.87 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.141 0.576 . . . . 0.0 112.448 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -130.75 157.04 43.9 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.82 4.51 82.32 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.119 0.39 . . . . 0.0 112.157 -177.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.422 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.7 p-90 -152.82 175.06 13.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.729 0.764 . . . . 0.0 110.686 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -144.44 162.96 35.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.74 -23.08 64.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -76.54 -15.2 59.93 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 122.084 -0.385 . . . . 0.0 111.788 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -98.47 119.64 61.08 Favored Pre-proline 0 N--CA 1.454 -0.273 0 CA-C-O 119.286 -0.387 . . . . 0.0 111.701 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.39 152.92 44.66 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.958 2.439 . . . . 0.0 110.48 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.16 152.35 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -135.63 129.05 32.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 173.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.21 156.43 16.33 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.574 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -150.27 146.63 26.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.89 145.96 44.26 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 173.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -141.77 153.28 44.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -80.15 142.0 35.19 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.16 137.7 58.06 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.915 -0.49 . . . . 0.0 110.922 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.17 -2.33 88.26 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.966 -0.908 . . . . 0.0 114.344 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -87.0 -170.07 2.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.175 1.487 . . . . 0.0 108.112 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -126.57 110.88 22.97 Favored Pre-proline 0 C--O 1.23 0.043 0 C-N-CA 123.309 0.643 . . . . 0.0 109.847 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.23 -11.42 26.87 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 123.515 2.81 . . . . 0.0 111.615 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.555 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 15.3 m-85 -85.98 -5.72 59.17 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -135.35 -32.54 0.93 Allowed 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.64 0.654 . . . . 0.0 111.531 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -94.55 158.15 15.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.9 147.43 70.37 Favored Pre-proline 0 N--CA 1.453 -0.287 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.69 158.24 57.73 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.477 2.785 . . . . 0.0 110.21 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.5 m -79.22 -20.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.36 145.38 13.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.862 0.465 . . . . 0.0 109.854 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -159.61 156.36 27.82 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.796 0.332 . . . . 0.0 111.869 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -89.05 -4.63 58.31 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.363 0.665 . . . . 0.0 111.665 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.31 136.67 84.08 Favored Pre-proline 0 N--CA 1.453 -0.295 0 O-C-N 122.047 -0.408 . . . . 0.0 110.686 -178.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.6 -23.39 11.29 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.174 2.583 . . . . 0.0 111.694 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -100.7 -27.23 13.48 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 116.277 1.955 . . . . 0.0 116.277 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -77.74 133.97 38.17 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -82.1 176.41 9.54 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.088 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.33 161.66 40.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 123.009 0.523 . . . . 0.0 112.208 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -56.33 142.28 38.53 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 122.787 0.435 . . . . 0.0 111.413 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.17 62.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.662 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.33 -8.46 59.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.909 0.322 . . . . 0.0 110.928 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.44 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.1 p -122.53 5.75 9.55 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.51 119.77 9.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -175.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.27 -14.1 5.4 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.877 0.751 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.4 mtm105 -90.05 -29.31 18.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 118.615 1.207 . . . . 0.0 111.367 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.44 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.52 127.79 53.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -147.1 142.41 27.36 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.96 154.06 39.49 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.578 0.751 . . . . 0.0 109.643 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -132.74 171.81 13.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.122 0.969 . . . . 0.0 110.445 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -178.33 53.75 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 121.37 0.428 . . . . 0.0 112.751 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -88.82 132.79 34.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.57 -39.32 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 110.993 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.97 -4.14 57.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.709 0.404 . . . . 0.0 110.87 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.0 t -102.17 10.8 39.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.305 0.642 . . . . 0.0 111.185 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 56.38 33.84 23.11 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.218 0.607 . . . . 0.0 112.431 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -78.74 128.92 34.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.709 175.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -113.9 14.84 18.61 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.17 0.588 . . . . 0.0 110.921 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -53.2 150.22 6.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.306 0.642 . . . . 0.0 111.027 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp -135.14 150.27 50.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.47 ' HB2' HD11 ' A' ' 83' ' ' LEU . 17.0 t -125.62 134.49 51.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.949 0.5 . . . . 0.0 109.693 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.14 136.95 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 172.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -128.15 148.49 50.6 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.8 t0 48.55 53.31 12.33 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.82 143.71 36.03 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -138.94 162.78 34.01 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 124.311 1.044 . . . . 0.0 109.298 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.88 -15.71 33.66 Favored 'General case' 0 C--N 1.334 -0.079 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -173.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -83.39 -4.82 58.84 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.228 0.467 . . . . 0.0 111.911 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -91.83 -19.26 22.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.393 0.542 . . . . 0.0 109.585 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -67.36 137.03 55.68 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.27 -151.08 23.19 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -124.57 153.13 42.61 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.101 0.451 . . . . 0.0 110.955 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -140.51 161.03 38.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.253 1.021 . . . . 0.0 111.692 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -144.66 157.41 44.21 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -105.06 156.02 18.45 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.438 HH22 HOB1 ' A' ' 205' ' ' SIA . 15.5 ttm-85 -132.01 144.05 50.51 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 121.222 0.534 . . . . 0.0 111.223 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -119.06 130.11 55.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.779 1.232 . . . . 0.0 109.57 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -139.41 130.72 26.8 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 169.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.81 112.7 3.7 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.15 -124.77 36.9 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -173.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.5 m -83.98 -7.19 59.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.6 tpp -68.53 137.07 54.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.377 0.535 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -146.71 126.41 13.41 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 124.811 1.244 . . . . 0.0 109.828 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.409 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 63.2 t-105 -161.62 155.2 21.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.8 p -138.46 132.87 31.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 123.29 0.636 . . . . 0.0 109.325 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -83.08 78.33 9.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -145.05 163.13 35.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p -75.3 157.69 33.98 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.36 -164.37 1.7 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.286 1.435 . . . . 0.0 109.684 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.99 -48.58 8.73 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.685 1.194 . . . . 0.0 113.064 -176.39 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.93 -15.83 2.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -76.43 139.93 41.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -135.71 141.39 44.91 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.41 0.684 . . . . 0.0 110.439 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -155.43 163.86 39.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -80.22 155.85 27.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.859 0.864 . . . . 0.0 111.583 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -137.18 173.7 11.4 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.43 1.092 . . . . 0.0 111.333 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.15 124.63 51.97 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.009 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m -102.63 131.62 49.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.3 148.42 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.0 155.38 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -176.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.07 142.87 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.201 0.6 . . . . 0.0 110.281 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.5 t -141.18 146.9 37.54 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.322 0.649 . . . . 0.0 112.397 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.81 150.31 37.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 121.864 -0.523 . . . . 0.0 111.058 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.88 -23.6 67.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.71 0.404 . . . . 0.0 109.93 173.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER 54.43 13.78 0.7 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 172.8 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.52 174.76 12.57 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 121.521 -0.737 . . . . 0.0 111.073 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -174.73 -179.59 45.41 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.1 p -69.51 165.08 21.75 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.101 0.56 . . . . 0.0 111.014 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.59 1.27 17.31 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.195 0.598 . . . . 0.0 112.093 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 145' ' ' ARG . 60.2 t -64.73 135.86 96.55 Favored Pre-proline 0 CA--C 1.532 0.262 0 C-N-CA 123.252 0.621 . . . . 0.0 109.684 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.9 -21.49 43.85 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.554 2.836 . . . . 0.0 112.446 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.508 ' H ' HG12 ' A' ' 143' ' ' VAL . 88.8 mtm-85 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.991 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.555 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.438 HOB1 HH22 ' A' ' 109' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HG2' ' H ' ' A' ' 3' ' ' GLY . 56.7 ttm . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -71.73 -1.71 14.86 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.555 0.742 . . . . 0.0 112.691 -177.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.457 ' H ' ' HG2' ' A' ' 1' ' ' MET . . . 74.37 -170.46 53.54 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -157.22 156.75 33.09 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -74.09 170.28 15.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.644 0.777 . . . . 0.0 110.68 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.74 140.12 58.83 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.1 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.27 133.08 54.79 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.8 84.27 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.916 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.85 129.92 39.15 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.419 1.109 . . . . 0.0 112.723 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.78 -8.46 79.79 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.038 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -100.43 104.91 16.34 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 117.713 0.756 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.94 161.1 38.82 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.184 0.516 . . . . 0.0 110.574 176.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -146.9 147.12 30.46 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -130.79 130.09 43.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.407 0.683 . . . . 0.0 109.78 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -152.55 160.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.064 0.545 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.24 127.09 27.7 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.73 -27.2 60.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.81 123.02 6.51 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.098 0.475 . . . . 0.0 109.875 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.517 HG21 HG22 ' A' ' 29' ' ' VAL . 42.1 t -111.13 128.49 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.279 1.3 p -114.79 128.78 56.49 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 169.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -133.71 146.77 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 123.271 0.629 . . . . 0.0 110.175 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.58 155.77 40.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.707 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -72.85 128.25 34.95 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.712 -0.618 . . . . 0.0 109.991 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.93 1.92 59.66 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.49 -1.172 . . . . 0.0 114.607 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.7 178.23 7.01 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.687 1.743 . . . . 0.0 111.278 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -100.99 169.14 9.16 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -155.05 155.4 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.51 1.124 . . . . 0.0 110.768 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -108.92 143.01 38.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.811 0.844 . . . . 0.0 110.059 178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 19' ' ' VAL . 40.5 t -131.3 111.62 15.4 Favored Pre-proline 0 CA--C 1.527 0.084 0 C-N-CA 123.188 0.595 . . . . 0.0 110.97 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -74.82 135.72 19.81 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.709 2.273 . . . . 0.0 110.341 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.6 t -148.98 145.37 27.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.74 0.416 . . . . 0.0 110.413 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.8 m -145.26 153.47 41.34 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.157 0.983 . . . . 0.0 110.434 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -150.85 170.78 18.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.073 0.397 . . . . 0.0 111.934 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -148.7 154.86 40.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 111.151 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -152.82 160.94 30.39 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.904 0.882 . . . . 0.0 113.342 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.41 150.52 67.32 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.558 2.838 . . . . 0.0 112.034 176.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -87.99 36.12 0.76 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.612 . . . . 0.0 112.636 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.66 157.0 43.33 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.4 3.21 81.86 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.052 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.4 p-90 -150.25 175.75 11.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.954 0.877 . . . . 0.0 111.381 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.57 160.29 40.58 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -63.99 -19.86 65.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.337 0.655 . . . . 0.0 110.514 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.1 p -78.28 -16.13 58.08 Favored 'General case' 0 CA--C 1.528 0.101 0 O-C-N 122.314 -0.241 . . . . 0.0 111.488 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.33 120.54 60.78 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.338 0.655 . . . . 0.0 112.384 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.82 153.38 48.05 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.86 2.373 . . . . 0.0 110.527 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.0 152.69 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -136.42 131.22 33.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.494 172.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.0 156.98 15.59 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -150.23 147.81 28.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -118.06 147.26 43.42 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 122.902 0.481 . . . . 0.0 112.263 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -143.17 151.93 41.2 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 69.6 mtt-85 -79.42 141.46 36.81 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.37 134.06 56.28 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.229 -0.295 . . . . 0.0 110.947 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.76 -3.44 84.9 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.793 -1.004 . . . . 0.0 114.119 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -85.22 -176.31 6.1 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.508 1.654 . . . . 0.0 108.41 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -120.16 100.96 47.6 Favored Pre-proline 0 CA--C 1.53 0.175 0 C-N-CA 122.77 0.428 . . . . 0.0 109.96 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -70.47 -9.07 25.07 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.528 2.819 . . . . 0.0 112.303 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.517 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 19.9 m-85 -81.41 -6.58 59.07 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -153.18 -21.67 0.15 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -82.14 157.64 23.96 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.512 0.596 . . . . 0.0 110.708 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.57 144.67 70.09 Favored Pre-proline 0 N--CA 1.453 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -72.77 157.95 51.1 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.206 2.604 . . . . 0.0 109.44 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.79 -21.48 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 O-C-N 121.908 -0.495 . . . . 0.0 109.996 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.2 146.22 13.83 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t -160.0 157.06 28.11 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 122.603 0.361 . . . . 0.0 111.755 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -89.65 -2.11 58.2 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.115 0.566 . . . . 0.0 111.598 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.03 139.24 97.71 Favored Pre-proline 0 N--CA 1.455 -0.195 0 O-C-N 121.994 -0.441 . . . . 0.0 111.398 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.54 -23.1 8.77 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.341 2.694 . . . . 0.0 111.506 175.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -109.62 -26.7 9.76 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 -174.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -72.37 136.06 46.02 Favored 'General case' 0 C--N 1.338 0.095 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 pm0 -75.67 179.86 5.13 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.099 0.56 . . . . 0.0 110.727 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.68 160.39 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.523 0.729 . . . . 0.0 111.06 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -55.01 141.4 34.19 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.621 0.248 . . . . 0.0 111.496 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.45 62.57 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -85.46 -3.54 58.88 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.324 0.249 . . . . 0.0 111.235 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.2 p -127.75 6.18 6.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.3 120.08 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.27 -13.75 4.48 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.262 -0.743 . . . . 0.0 113.333 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -89.92 -29.42 18.54 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.52 1.16 . . . . 0.0 111.241 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.7 m-85 -106.27 127.32 53.16 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.09 142.15 28.25 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.98 154.39 39.33 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.201 0.6 . . . . 0.0 109.534 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.7 mt -131.99 172.94 11.73 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.003 0.921 . . . . 0.0 110.459 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.63 -177.65 51.29 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 122.944 0.306 . . . . 0.0 112.608 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.16 142.28 28.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.66 -40.8 79.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 122.967 0.507 . . . . 0.0 111.049 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -81.91 -9.32 59.62 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.589 0.356 . . . . 0.0 110.925 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.3 t -95.69 8.29 43.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.234 0.614 . . . . 0.0 111.346 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 57.7 34.21 24.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.607 0.763 . . . . 0.0 112.671 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -79.68 127.72 32.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.533 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.47 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.2 p -112.82 14.65 19.9 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 122.982 0.513 . . . . 0.0 111.073 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -53.31 150.49 6.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.303 0.641 . . . . 0.0 111.054 -176.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.8 tp -135.3 150.95 50.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.278 0.631 . . . . 0.0 110.454 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.4 t -126.48 136.81 53.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.277 0.631 . . . . 0.0 109.933 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.31 138.13 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.34 147.47 50.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.919 0.488 . . . . 0.0 109.876 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.7 t0 48.33 52.18 13.9 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.74 142.68 39.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -136.95 162.36 33.5 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.418 1.087 . . . . 0.0 109.287 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.61 -14.44 20.34 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -85.89 -2.24 58.06 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.248 0.477 . . . . 0.0 111.401 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -95.85 -17.28 21.25 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.05 135.8 51.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.73 -148.94 20.54 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.72 151.97 45.93 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.039 0.535 . . . . 0.0 111.028 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 72.1 m-85 -139.7 161.22 38.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.101 0.96 . . . . 0.0 111.232 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -144.55 158.04 43.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -104.54 158.96 16.13 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.437 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.9 ttt85 -138.2 149.99 46.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 121.836 -0.54 . . . . 0.0 110.746 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tp -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.553 1.141 . . . . 0.0 110.401 -175.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -138.73 131.14 28.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 169.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -153.78 111.83 3.57 Favored 'General case' 0 C--O 1.228 -0.071 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.4 -123.53 32.94 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 108.757 -1.737 . . . . 0.0 108.757 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -85.29 -6.81 59.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.1 tpp -68.35 136.82 53.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.2 0.455 . . . . 0.0 111.413 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -147.13 124.77 11.78 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.549 1.14 . . . . 0.0 109.116 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.491 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 59.4 t-105 -160.36 137.35 9.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.437 ' HB3' HH11 ' A' ' 109' ' ' ARG . 77.3 p -113.4 131.93 55.81 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -84.22 78.36 9.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -146.37 162.66 37.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.3 p -77.97 156.21 30.33 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -140.13 -164.37 1.69 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.424 1.489 . . . . 0.0 110.135 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.89 -49.62 8.29 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.97 1.308 . . . . 0.0 112.982 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.89 -15.3 3.03 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.41 138.05 38.3 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -135.5 141.43 45.29 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 122.839 0.456 . . . . 0.0 110.052 -175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 t -154.2 161.47 41.82 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.08 155.61 30.49 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.482 0.713 . . . . 0.0 111.913 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -136.19 171.17 14.87 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.277 1.031 . . . . 0.0 111.16 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.5 tp -112.47 126.11 54.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.811 0.844 . . . . 0.0 109.739 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.5 m -103.39 131.71 50.25 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -109.25 148.13 13.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.95 154.97 46.32 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.0 t -134.96 142.87 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.042 0.537 . . . . 0.0 110.414 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.94 146.0 35.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.217 0.607 . . . . 0.0 112.581 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.07 149.68 41.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.986 -0.446 . . . . 0.0 110.997 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.18 -23.52 67.12 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.217 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER 54.93 11.99 0.55 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 117.84 2.533 . . . . 0.0 117.84 172.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.99 175.05 12.45 Favored 'General case' 0 C--O 1.232 0.168 0 O-C-N 121.735 -0.603 . . . . 0.0 111.697 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -177.09 179.85 47.78 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.4 p -72.03 168.98 16.94 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.057 0.456 . . . . 0.0 110.949 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 80.5 mt -75.15 0.17 17.22 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.926 0.49 . . . . 0.0 111.62 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.41 ' CG1' ' HD2' ' A' ' 144' ' ' PRO . 3.5 t 65.56 139.3 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 124.394 1.078 . . . . 0.0 113.396 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 143' ' ' VAL . 65.7 Cg_endo -66.24 174.6 5.85 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.833 2.356 . . . . 0.0 110.867 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.625 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.517 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.491 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.632 0.253 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -69.63 155.53 40.36 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.765 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.08 2.34 71.77 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-O 119.687 -0.507 . . . . 0.0 112.75 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -63.76 129.9 42.01 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 118.002 0.901 . . . . 0.0 113.089 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -159.26 169.72 23.46 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.983 0.513 . . . . 0.0 110.39 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.27 140.63 58.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.093 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.57 132.73 54.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 172.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.67 11.46 85.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.786 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.83 130.72 42.08 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.431 1.115 . . . . 0.0 112.764 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.42 -9.14 78.12 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-O 119.444 -0.642 . . . . 0.0 111.975 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.09 105.27 16.89 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.919 0.859 . . . . 0.0 110.109 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.55 161.58 37.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.162 0.505 . . . . 0.0 110.423 176.3 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -147.24 147.11 30.1 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.852 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.434 HE22 HD23 ' A' ' 12' ' ' LEU . 22.3 mp0 -130.7 130.31 43.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.438 0.695 . . . . 0.0 109.809 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -152.75 160.39 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.832 0.453 . . . . 0.0 110.842 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.47 127.97 29.92 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.52 -26.47 55.26 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -155.45 123.82 5.91 Favored 'General case' 0 C--O 1.227 -0.079 0 C-N-CA 122.713 0.405 . . . . 0.0 109.917 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.497 HG21 HG22 ' A' ' 29' ' ' VAL . 42.8 t -112.65 123.24 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -107.59 127.35 53.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.22 145.57 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.791 0.436 . . . . 0.0 109.988 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -71.97 156.78 38.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.909 -0.494 . . . . 0.0 110.579 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -73.34 128.58 35.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.702 -0.624 . . . . 0.0 110.0 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.38 2.66 61.79 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.719 -1.045 . . . . 0.0 114.838 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.57 179.07 6.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.515 1.657 . . . . 0.0 111.674 175.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -102.08 168.13 9.58 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 p -154.04 153.91 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.361 1.064 . . . . 0.0 110.744 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -107.04 143.27 35.39 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.687 0.795 . . . . 0.0 109.64 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG22 HG21 ' A' ' 19' ' ' VAL . 28.1 t -131.52 111.26 15.05 Favored Pre-proline 0 C--O 1.231 0.123 0 C-N-CA 123.251 0.621 . . . . 0.0 110.937 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.07 135.73 19.34 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.794 2.329 . . . . 0.0 110.123 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.8 t -148.66 145.54 27.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.043 0.537 . . . . 0.0 110.393 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -146.06 152.9 40.07 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.079 0.951 . . . . 0.0 110.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -150.19 170.8 18.09 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 112.189 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -148.3 154.64 40.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.079 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -154.27 159.62 31.78 Favored Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.298 1.039 . . . . 0.0 113.061 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -59.51 154.21 49.52 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.435 2.757 . . . . 0.0 111.756 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.5 pt20 -82.8 13.25 3.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -91.93 151.16 20.65 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.49 5.03 88.93 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.553 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.491 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.76 174.2 12.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.302 1.051 . . . . 0.0 111.361 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -143.89 162.46 36.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.43 -21.92 62.83 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -75.56 -23.36 56.55 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.09 -0.381 . . . . 0.0 111.642 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -87.96 122.22 70.21 Favored Pre-proline 0 C--O 1.232 0.134 0 C-N-CA 122.72 0.408 . . . . 0.0 111.244 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.26 151.72 34.28 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.86 2.373 . . . . 0.0 110.746 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.98 151.13 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -136.03 130.86 34.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.413 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.2 156.16 15.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -151.56 149.23 28.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -119.29 147.81 43.87 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.119 0.568 . . . . 0.0 112.13 174.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -141.7 153.45 44.67 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -77.71 137.48 38.52 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.92 136.79 57.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 122.035 -0.416 . . . . 0.0 110.85 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 -4.87 84.25 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 118.877 -0.957 . . . . 0.0 114.163 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -86.07 178.9 7.08 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.243 1.521 . . . . 0.0 107.771 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -109.43 107.67 59.61 Favored Pre-proline 0 C--O 1.232 0.138 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.73 -10.57 26.71 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.437 2.758 . . . . 0.0 111.615 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.555 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 7.9 m-85 -87.54 -6.2 58.44 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -130.07 -35.74 1.59 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.981 0.81 . . . . 0.0 111.398 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -89.48 154.61 19.89 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.83 151.09 86.54 Favored Pre-proline 0 N--CA 1.453 -0.293 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.16 154.61 61.97 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.139 2.56 . . . . 0.0 110.321 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -76.99 -19.92 14.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.26 147.85 14.66 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -154.44 157.72 38.88 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 122.565 0.346 . . . . 0.0 110.548 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.17 -6.4 56.97 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -70.91 138.26 85.22 Favored Pre-proline 0 N--CA 1.454 -0.23 0 O-C-N 121.981 -0.449 . . . . 0.0 111.917 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -76.99 -11.86 17.85 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.889 3.059 . . . . 0.0 111.826 174.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -114.24 -36.26 4.74 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -66.36 139.36 58.02 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 122.565 0.346 . . . . 0.0 110.725 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -81.42 173.85 12.03 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.113 0.565 . . . . 0.0 110.935 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.75 165.88 21.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 123.638 0.775 . . . . 0.0 111.39 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -55.51 143.76 28.37 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.818 0.447 . . . . 0.0 111.679 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.14 61.98 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -82.7 -5.63 58.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.826 0.284 . . . . 0.0 110.91 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.9 p -125.3 5.29 7.75 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.71 120.97 11.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -174.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 -13.76 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.774 0.702 . . . . 0.0 112.974 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -91.65 -29.68 16.75 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.48 1.14 . . . . 0.0 111.281 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.27 127.59 53.35 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -147.02 142.09 27.1 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.82 154.56 39.46 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.08 0.552 . . . . 0.0 109.799 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.2 mt -131.04 170.92 13.84 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.14 0.976 . . . . 0.0 110.364 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.21 -176.64 54.0 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-O 121.189 0.327 . . . . 0.0 112.721 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -89.07 142.9 27.24 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.3 mt -68.45 -43.33 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.037 0.535 . . . . 0.0 111.089 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -81.24 -4.49 55.67 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.817 0.447 . . . . 0.0 110.864 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.4 t -99.63 8.14 44.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.489 0.715 . . . . 0.0 111.362 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 56.79 33.59 23.28 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.16 128.81 33.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.11 14.5 18.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.907 0.483 . . . . 0.0 111.083 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -53.51 151.1 6.07 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.29 0.636 . . . . 0.0 111.093 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.57 150.86 48.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.338 -173.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.3 t -126.75 136.12 52.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.79 136.99 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 96' ' ' ARG . 44.3 mtp180 -127.18 148.36 50.19 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.246 0.619 . . . . 0.0 109.888 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 45.6 t0 48.39 52.4 13.62 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.74 143.96 28.98 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -137.18 161.7 35.45 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.957 0.903 . . . . 0.0 109.394 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.71 -15.62 42.09 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -84.58 -4.67 59.1 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.369 0.531 . . . . 0.0 111.936 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -90.09 -19.77 23.95 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.77 134.89 50.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.973 0.509 . . . . 0.0 109.931 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.65 -148.44 19.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 t -126.45 153.34 45.18 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 122.899 0.48 . . . . 0.0 110.795 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.75 161.31 38.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.996 0.918 . . . . 0.0 111.442 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -143.01 155.99 44.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -102.04 158.81 15.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -138.77 148.69 44.16 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 118.288 0.495 . . . . 0.0 110.832 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.13 134.29 54.21 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.721 1.209 . . . . 0.0 110.133 -175.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.62 132.52 29.3 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -153.81 110.73 3.4 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.81 -124.23 35.98 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -172.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.7 t -82.38 -11.32 58.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.062 0.545 . . . . 0.0 111.694 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.1 tpp -66.25 136.68 56.2 Favored 'General case' 0 C--N 1.339 0.134 0 O-C-N 121.802 -0.561 . . . . 0.0 111.334 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -148.06 126.24 12.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.915 1.286 . . . . 0.0 109.29 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.453 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.4 t-105 -161.69 127.73 3.7 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 111.121 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.0 m -96.75 130.41 44.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.179 0.591 . . . . 0.0 109.562 172.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.12 78.14 8.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -146.58 162.51 38.22 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.4 p -77.42 156.24 31.28 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -140.88 -164.55 1.76 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.456 1.502 . . . . 0.0 110.091 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.93 -48.84 8.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.128 1.371 . . . . 0.0 112.797 -176.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.98 -16.15 2.9 Favored 'General case' 0 C--N 1.34 0.156 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.94 138.64 38.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -137.13 141.47 42.26 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.941 0.496 . . . . 0.0 110.253 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -153.54 162.42 41.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.4 156.42 29.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.436 0.694 . . . . 0.0 111.75 -175.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -137.57 171.2 14.8 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.442 1.097 . . . . 0.0 110.869 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.4 tp -113.05 123.75 51.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.5 m -100.83 130.69 46.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 170.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.94 148.29 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.44 154.91 46.82 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.91 142.96 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.903 0.481 . . . . 0.0 110.405 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.08 146.17 35.13 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.106 0.562 . . . . 0.0 112.377 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.11 149.59 40.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 110.841 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.574 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.8 -18.8 65.55 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.422 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.331 1.1 t 54.59 13.26 0.65 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 173.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -132.94 -3.71 3.18 Favored 'General case' 0 N--CA 1.461 0.114 0 O-C-N 121.716 -0.615 . . . . 0.0 111.553 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.57 -10.6 54.69 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 122.901 0.286 . . . . 0.0 112.495 -175.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.4 t -73.96 -35.58 64.52 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.709 0.754 . . . . 0.0 110.837 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.3 mt -77.57 -8.06 57.27 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.215 0.606 . . . . 0.0 111.269 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 145' ' ' ARG . 98.4 t -72.49 138.06 80.81 Favored Pre-proline 0 N--CA 1.453 -0.317 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 176.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -64.45 -23.03 65.24 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.003 2.469 . . . . 0.0 112.511 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.413 ' H ' HG12 ' A' ' 143' ' ' VAL . 42.9 mtm180 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 117.001 -1.476 . . . . 0.0 112.512 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.555 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.453 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -69.08 -20.89 64.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.601 0.361 . . . . 0.0 111.461 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.89 -0.99 83.68 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.79 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -69.94 151.76 45.24 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.233 1.016 . . . . 0.0 108.991 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -72.2 171.11 12.64 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.486 0.714 . . . . 0.0 110.994 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -64.95 140.64 58.89 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.974 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.24 130.93 48.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 77.92 14.35 82.43 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.868 -0.407 . . . . 0.0 113.004 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.17 129.87 41.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.405 1.103 . . . . 0.0 111.873 174.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.05 -7.9 81.08 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.428 -0.651 . . . . 0.0 112.108 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.89 105.04 15.33 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.693 0.747 . . . . 0.0 109.615 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.87 163.15 33.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.097 0.475 . . . . 0.0 110.74 177.261 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.12 145.1 28.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.883 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.461 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -124.32 127.26 47.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.872 0.469 . . . . 0.0 109.77 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.49 158.23 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.764 0.426 . . . . 0.0 111.757 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.71 133.21 46.96 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.845 0.858 . . . . 0.0 109.82 174.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -77.0 -31.07 56.2 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -154.17 127.48 8.49 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.981 0.513 . . . . 0.0 109.932 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG21 HG22 ' A' ' 29' ' ' VAL . 43.5 t -114.96 122.75 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -108.05 127.31 53.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 174.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.0 144.61 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.19 156.7 39.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.93 0.395 . . . . 0.0 110.563 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.11 129.87 39.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.507 -0.746 . . . . 0.0 110.326 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.72 1.74 63.49 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 118.686 -1.063 . . . . 0.0 114.824 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 178.73 6.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.491 1.646 . . . . 0.0 111.518 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -102.86 168.58 9.13 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -154.87 154.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 C-N-CA 124.274 1.029 . . . . 0.0 110.602 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -108.97 142.65 39.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.722 0.809 . . . . 0.0 109.819 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG22 HG21 ' A' ' 19' ' ' VAL . 42.3 t -131.26 111.88 15.5 Favored Pre-proline 0 CA--C 1.524 -0.048 0 C-N-CA 123.22 0.608 . . . . 0.0 110.578 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.28 135.48 18.63 Favored 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 122.895 2.397 . . . . 0.0 110.019 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.0 t -148.53 146.5 28.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.918 0.487 . . . . 0.0 109.815 178.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -147.17 155.85 42.48 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 123.278 0.631 . . . . 0.0 110.373 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -150.57 170.32 19.42 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t -147.9 153.74 39.48 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.35 159.39 31.99 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 124.062 0.945 . . . . 0.0 113.439 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.19 153.07 48.41 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.559 2.839 . . . . 0.0 111.797 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -86.01 18.64 2.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -101.55 156.39 17.51 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.05 3.99 88.71 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.516 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.9 p-90 -152.26 174.86 13.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.427 1.114 . . . . 0.0 111.306 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -144.7 163.25 34.55 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -60.85 -20.93 62.66 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.218 0.607 . . . . 0.0 112.432 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -75.0 -22.59 58.43 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.676 0.391 . . . . 0.0 111.429 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -92.11 122.61 64.66 Favored Pre-proline 0 N--CA 1.455 -0.2 0 C-N-CA 123.01 0.524 . . . . 0.0 112.3 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.28 152.4 39.44 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 123.091 2.527 . . . . 0.0 110.525 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.62 152.09 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -136.27 128.49 29.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.818 172.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.9 158.81 16.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -150.56 150.39 31.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -123.15 147.02 47.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.242 0.617 . . . . 0.0 112.089 174.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -146.82 156.1 42.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.494 0.718 . . . . 0.0 110.446 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 47.4 mtt180 -85.05 147.91 26.43 Favored 'General case' 0 CA--C 1.523 -0.092 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.42 141.04 57.92 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 122.043 -0.411 . . . . 0.0 111.077 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.78 -5.83 84.1 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 118.939 -0.923 . . . . 0.0 114.075 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 36.6 p30 -91.4 -175.8 4.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.37 1.585 . . . . 0.0 107.459 178.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' HD2' ' C ' ' A' ' 55' ' ' ASP . 3.1 mpt_? -127.02 117.51 22.04 Favored Pre-proline 0 CA--C 1.53 0.19 0 O-C-N 122.195 -0.315 . . . . 0.0 110.48 176.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -72.87 -11.09 25.48 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.257 2.638 . . . . 0.0 111.783 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 7.4 m-85 -86.9 -6.22 58.85 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -130.32 -26.9 2.26 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 118.601 0.637 . . . . 0.0 111.885 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -108.29 157.86 17.99 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.05 148.37 78.38 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.55 156.7 63.18 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.187 2.592 . . . . 0.0 110.111 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.33 -20.73 14.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.03 146.64 12.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.828 0.451 . . . . 0.0 110.167 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t -160.74 156.0 24.67 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 122.564 0.345 . . . . 0.0 111.157 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -87.29 -3.13 59.03 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.235 0.614 . . . . 0.0 111.872 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -64.72 137.71 97.23 Favored Pre-proline 0 CA--C 1.532 0.283 0 O-C-N 122.033 -0.417 . . . . 0.0 111.8 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -78.93 -22.33 8.84 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.397 2.731 . . . . 0.0 111.754 173.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -106.02 -27.17 11.31 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.71 135.75 40.37 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -81.1 173.43 12.57 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.927 0.394 . . . . 0.0 110.012 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.47 163.6 37.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 122.775 0.43 . . . . 0.0 111.553 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -56.26 139.54 47.72 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-O 120.688 0.28 . . . . 0.0 111.123 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.95 -19.78 63.36 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -92.68 -4.7 52.81 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 122.257 -0.277 . . . . 0.0 111.249 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.419 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.2 p -119.34 3.75 11.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.72 119.64 9.1 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.4 -16.89 3.52 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.604 0.621 . . . . 0.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -86.41 -31.26 21.54 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 118.097 0.948 . . . . 0.0 111.242 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 8.1 m-85 -105.4 127.45 52.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.95 141.23 26.26 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.95 154.26 39.43 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.392 0.677 . . . . 0.0 109.307 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.0 171.97 12.94 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.811 0.845 . . . . 0.0 110.211 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.4 -178.05 52.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 122.791 0.234 . . . . 0.0 112.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -86.83 139.68 30.44 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.37 -37.38 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.355 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -86.07 15.26 5.23 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.283 0.633 . . . . 0.0 111.563 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -131.64 14.02 4.92 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.015 0.526 . . . . 0.0 110.885 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.4 34.8 24.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.967 0.907 . . . . 0.0 113.101 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.86 126.49 30.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.035 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.461 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -111.74 13.83 21.11 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.095 0.558 . . . . 0.0 110.998 175.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.7 m -53.54 150.0 7.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.382 0.673 . . . . 0.0 110.782 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.4 tp -136.29 149.83 48.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.466 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.494 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.0 t -125.89 135.64 52.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.064 0.546 . . . . 0.0 109.748 173.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.9 mp -107.74 137.05 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 171.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -127.64 148.1 50.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.909 0.483 . . . . 0.0 109.725 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.7 t0 47.54 53.43 11.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.65 141.88 46.85 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -138.51 163.34 32.23 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.362 1.065 . . . . 0.0 109.733 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.76 -16.03 24.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -81.71 -5.32 58.02 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.814 0.445 . . . . 0.0 111.485 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -94.22 -20.04 20.19 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.005 0.522 . . . . 0.0 109.973 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -68.33 134.28 50.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.785 0.434 . . . . 0.0 110.406 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.44 -149.39 20.9 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.6 t -124.04 152.94 42.05 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.784 0.433 . . . . 0.0 110.6 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 51.6 m-85 -137.69 155.86 48.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.594 1.158 . . . . 0.0 112.786 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -142.81 155.01 44.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.252 22.6 t80 -103.78 157.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -137.16 150.61 48.05 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.666 0.386 . . . . 0.0 110.518 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -127.76 132.52 49.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.411 1.084 . . . . 0.0 110.266 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -139.47 131.96 28.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 169.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -153.78 112.37 3.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.485 0.714 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.26 -125.26 38.53 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -172.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -83.45 -8.57 59.35 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.077 0.551 . . . . 0.0 112.454 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.7 tpp -69.07 137.09 53.25 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 118.395 0.543 . . . . 0.0 110.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -146.02 128.77 16.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.131 1.372 . . . . 0.0 108.58 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.442 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 58.4 t-105 -159.55 145.21 15.86 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.181 0.446 . . . . 0.0 110.386 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -122.29 130.87 53.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.302 0.641 . . . . 0.0 109.655 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -86.53 78.71 9.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -146.12 145.36 30.48 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.586 0.355 . . . . 0.0 111.016 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.3 t -67.16 142.01 57.18 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.612 0.765 . . . . 0.0 112.002 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -139.3 -163.69 1.53 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.429 1.091 . . . . 0.0 111.24 -176.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -42.83 -48.65 5.77 Favored 'General case' 0 C--O 1.23 0.047 0 C-N-CA 125.37 1.468 . . . . 0.0 113.239 -175.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -134.94 -12.25 2.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -82.24 141.03 33.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -137.36 139.63 40.92 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 122.56 0.344 . . . . 0.0 110.755 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.14 163.73 39.26 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.561 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -73.72 154.71 39.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.129 0.972 . . . . 0.0 111.433 -174.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.65 167.46 21.36 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.379 1.072 . . . . 0.0 110.666 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.37 122.85 48.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.586 0.754 . . . . 0.0 109.767 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.2 m -99.21 130.42 45.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.91 148.0 13.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 172.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.85 154.95 46.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.24 142.91 40.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.806 0.442 . . . . 0.0 110.221 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.67 144.63 32.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.295 0.638 . . . . 0.0 112.324 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.67 151.45 42.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.11 -0.369 . . . . 0.0 110.771 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.15 -25.53 68.13 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.1 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER 55.54 2.92 0.07 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 175.051 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -156.86 166.07 34.4 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 121.867 -0.521 . . . . 0.0 110.518 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 69.72 14.31 69.89 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.0 p -150.62 177.7 9.8 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.59 0.756 . . . . 0.0 110.246 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 66.6 mt -73.62 0.83 11.56 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.203 0.601 . . . . 0.0 112.343 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.02 132.7 95.36 Favored Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.3 164.33 34.49 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 123.635 2.89 . . . . 0.0 111.905 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.282 -1.342 . . . . 0.0 110.62 -179.434 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.534 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.418 ' H91' ' CD2' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.621 0.248 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -68.9 147.8 51.14 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.329 0.252 . . . . 0.0 110.469 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.14 171.56 48.38 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -69.39 154.6 41.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -74.12 168.86 18.72 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.235 0.614 . . . . 0.0 110.684 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.58 142.2 58.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.485 0.714 . . . . 0.0 109.81 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.36 133.75 55.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 9.38 86.09 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.041 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.83 132.31 52.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.334 1.067 . . . . 0.0 110.752 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.37 -8.94 78.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.97 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.63 102.72 13.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.993 0.896 . . . . 0.0 110.273 175.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.492 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -139.45 160.21 40.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.188 0.518 . . . . 0.0 110.625 177.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.21 146.8 30.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.926 -174.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.492 HE22 HD23 ' A' ' 12' ' ' LEU . 22.7 mp0 -127.22 124.52 39.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.501 0.72 . . . . 0.0 109.74 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.42 158.39 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 122.931 0.493 . . . . 0.0 111.393 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.97 129.29 39.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.581 0.753 . . . . 0.0 109.804 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.5 -27.31 58.72 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.05 124.66 7.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG21 HG22 ' A' ' 29' ' ' VAL . 38.3 t -114.61 126.79 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.288 1.2 p -112.22 127.07 55.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 170.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -131.86 147.19 32.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.223 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.6 156.25 39.61 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.026 0.441 . . . . 0.0 110.451 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -74.01 128.15 34.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.732 -0.605 . . . . 0.0 109.941 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.83 3.43 59.31 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.672 -1.071 . . . . 0.0 114.911 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.09 -178.58 5.03 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.346 1.573 . . . . 0.0 111.673 175.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -104.53 167.61 9.63 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.75 150.22 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.524 1.13 . . . . 0.0 110.642 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -102.88 142.79 33.39 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.025 0.93 . . . . 0.0 109.882 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG22 HG21 ' A' ' 19' ' ' VAL . 51.6 t -131.59 112.96 15.29 Favored Pre-proline 0 N--CA 1.458 -0.069 0 C-N-CA 122.903 0.481 . . . . 0.0 110.522 176.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.02 136.46 18.41 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.892 2.395 . . . . 0.0 110.07 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.0 t -149.84 142.44 24.49 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.973 0.509 . . . . 0.0 110.221 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -144.48 155.6 43.79 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 123.704 0.802 . . . . 0.0 109.978 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -150.73 173.23 14.42 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 121.025 0.441 . . . . 0.0 111.944 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -148.99 154.53 39.49 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.989 0.516 . . . . 0.0 111.046 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -153.72 160.63 30.71 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 124.227 1.011 . . . . 0.0 113.635 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.72 153.4 56.3 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.293 2.662 . . . . 0.0 111.613 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.8 pt20 -82.51 13.07 3.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.09 151.25 20.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.78 4.61 88.72 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.532 -0.593 . . . . 0.0 113.646 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.53 175.11 11.43 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 118.463 1.131 . . . . 0.0 111.191 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -144.91 163.2 34.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -60.8 -22.6 64.29 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t -75.03 -20.23 59.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.665 0.386 . . . . 0.0 111.539 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -92.63 121.69 65.66 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 122.786 0.434 . . . . 0.0 112.03 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.43 153.15 39.59 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 122.83 2.353 . . . . 0.0 110.267 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.92 152.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -136.36 131.62 34.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.34 157.66 15.79 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.477 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -150.53 152.24 33.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.721 0.809 . . . . 0.0 109.994 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -131.86 146.49 52.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 122.974 0.51 . . . . 0.0 112.269 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -149.41 157.42 43.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.219 -1.401 . . . . 0.0 107.219 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 54.0 mtt85 -80.53 154.06 27.75 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.04 142.85 56.32 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.26 -5.79 81.93 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.616 -177.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -78.0 168.66 19.54 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.264 1.032 . . . . 0.0 112.792 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -125.6 107.97 26.25 Favored Pre-proline 0 N--CA 1.453 -0.278 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.83 -11.4 29.38 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.223 2.615 . . . . 0.0 111.3 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 3.4 m-85 -86.82 -6.69 58.73 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -137.03 0.91 2.42 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.136 0.88 . . . . 0.0 113.294 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -152.31 165.29 35.39 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.23 151.27 69.38 Favored Pre-proline 0 N--CA 1.451 -0.395 0 C-N-CA 123.241 0.616 . . . . 0.0 111.492 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.01 159.76 49.36 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.732 2.955 . . . . 0.0 110.334 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -77.98 -21.61 13.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 147.95 13.69 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.769 0.428 . . . . 0.0 110.432 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -161.25 157.89 26.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.385 0.274 . . . . 0.0 111.221 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -88.08 -6.28 58.01 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.311 0.644 . . . . 0.0 111.689 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.12 135.25 84.95 Favored Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 118.037 0.38 . . . . 0.0 110.607 -177.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.13 -23.26 10.59 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.187 2.591 . . . . 0.0 111.338 175.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -96.97 -28.51 14.15 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -80.1 134.89 36.22 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -82.26 176.24 9.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.38 162.64 39.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 122.933 0.493 . . . . 0.0 111.782 176.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -55.96 141.24 40.32 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.074 0.464 . . . . 0.0 111.082 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.38 -20.59 62.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.597 0.359 . . . . 0.0 111.716 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -90.3 -5.26 56.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.708 0.403 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.9 p -122.73 5.57 9.45 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.16 119.17 8.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.1 -15.77 3.92 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.791 0.71 . . . . 0.0 112.862 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -87.02 -28.47 22.6 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 118.393 1.096 . . . . 0.0 111.171 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.9 m-85 -110.92 127.49 55.49 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.81 142.6 27.88 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.96 154.19 39.45 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.553 0.741 . . . . 0.0 109.525 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.54 174.5 10.2 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.966 0.906 . . . . 0.0 110.042 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.45 -176.83 54.56 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 122.9 0.286 . . . . 0.0 112.871 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.22 132.57 36.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.86 -37.37 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.662 0.785 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -85.95 10.96 12.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.05 0.54 . . . . 0.0 111.494 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -125.79 15.82 8.06 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 110.824 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.01 34.23 23.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.663 0.785 . . . . 0.0 113.107 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.68 128.84 34.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.817 -0.552 . . . . 0.0 112.487 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.459 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.79 13.7 17.28 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.101 0.56 . . . . 0.0 111.27 175.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.49 149.9 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.401 0.68 . . . . 0.0 111.276 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 tp -135.33 149.72 49.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.221 -173.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.479 ' HB2' HD11 ' A' ' 83' ' ' LEU . 16.5 t -124.19 135.4 53.44 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 123.177 0.591 . . . . 0.0 109.423 173.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -109.37 135.79 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -128.87 152.96 47.94 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.748 0.819 . . . . 0.0 109.074 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.3 41.32 30.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.81 144.56 27.22 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.134 0.574 . . . . 0.0 112.372 -171.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -140.41 161.25 38.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 124.908 1.283 . . . . 0.0 109.38 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -59.86 -14.68 16.33 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -83.76 -3.59 57.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.901 0.48 . . . . 0.0 111.766 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -95.16 -19.52 20.01 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -66.5 134.23 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.06 -147.79 17.29 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 t -124.68 154.21 41.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.111 0.564 . . . . 0.0 111.046 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.552 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 39.7 m-85 -138.81 155.59 48.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.76 1.224 . . . . 0.0 112.831 -175.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -141.14 152.87 45.05 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -100.92 160.99 13.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -139.1 145.89 40.03 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.067 0.46 . . . . 0.0 111.34 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.6 tp -118.15 134.18 55.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.971 1.308 . . . . 0.0 109.879 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -140.11 131.12 26.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.96 110.76 3.37 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.23 -123.24 32.47 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -173.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.0 t -83.3 -8.94 59.36 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.011 0.524 . . . . 0.0 111.792 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.7 tpp -68.74 136.59 53.07 Favored 'General case' 0 C--N 1.339 0.109 0 O-C-N 121.682 -0.636 . . . . 0.0 111.198 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -147.91 127.27 13.09 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.966 1.306 . . . . 0.0 109.357 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.463 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.1 t-105 -161.81 133.78 5.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 118.499 0.591 . . . . 0.0 111.26 175.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.439 ' HB2' ' HE2' ' A' ' 120' ' ' LYS . 28.9 m -101.34 131.6 47.32 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.306 0.642 . . . . 0.0 109.533 170.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -83.09 78.14 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' A' ' 118' ' ' SER . 58.6 pttt -145.95 146.18 30.94 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.73 0.812 . . . . 0.0 110.113 -176.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -70.24 152.73 43.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.994 0.518 . . . . 0.0 111.365 -176.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -142.4 -156.37 0.68 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.006 0.922 . . . . 0.0 110.568 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -45.61 -47.48 14.7 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.614 1.566 . . . . 0.0 112.519 -176.326 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.17 -14.67 1.76 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -77.73 143.3 38.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -138.92 140.99 38.49 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 123.258 0.623 . . . . 0.0 110.666 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.7 t -156.89 165.03 37.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.498 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -72.73 154.93 40.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.405 1.082 . . . . 0.0 111.458 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.27 168.33 19.96 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.259 1.024 . . . . 0.0 110.401 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.7 tp -115.87 122.35 45.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.347 0.659 . . . . 0.0 110.038 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.3 m -97.59 130.39 44.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -107.0 148.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.067 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.44 155.22 45.07 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -175.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.9 t -135.66 142.95 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.896 0.478 . . . . 0.0 109.743 -176.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.93 145.89 35.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.038 0.535 . . . . 0.0 112.319 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.07 150.85 38.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.097 0.475 . . . . 0.0 110.732 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.2 -24.31 67.63 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.074 174.078 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 0.9 OUTLIER 55.08 11.54 0.53 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 172.852 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.16 175.48 12.11 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 121.598 -0.689 . . . . 0.0 111.401 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -176.52 176.05 47.73 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 70.3 m -67.0 157.06 34.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.827 0.451 . . . . 0.0 111.069 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.37 -3.01 34.64 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.941 0.496 . . . . 0.0 111.331 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 38.7 t -144.93 137.33 13.37 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.32 149.25 85.13 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.263 2.642 . . . . 0.0 111.375 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.6 mtm105 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.378 -178.205 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.534 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.463 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -144.55 162.86 35.54 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.836 0.854 . . . . 0.0 110.535 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.94 -177.62 47.65 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -67.18 158.73 30.56 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -154.07 170.26 21.57 Favored 'General case' 0 C--N 1.338 0.074 0 C-N-CA 123.037 0.535 . . . . 0.0 110.479 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -65.49 140.25 58.57 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.387 0.675 . . . . 0.0 109.97 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.13 134.0 55.5 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 172.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 11.64 85.16 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.902 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -55.35 131.15 45.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.674 1.237 . . . . 0.0 112.904 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.92 -9.31 77.13 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-O 119.407 -0.663 . . . . 0.0 111.799 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.44 105.1 16.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.943 0.871 . . . . 0.0 110.208 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.426 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.7 162.13 36.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.225 0.536 . . . . 0.0 110.868 176.499 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -147.81 147.15 29.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.058 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.426 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.92 129.89 42.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.46 0.704 . . . . 0.0 109.625 178.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 p -152.79 160.23 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.124 0.57 . . . . 0.0 110.66 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.55 127.73 29.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.86 -27.25 60.18 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -154.94 123.82 6.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.497 HG21 HG22 ' A' ' 29' ' ' VAL . 40.5 t -112.56 129.27 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.283 1.3 p -115.13 128.57 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 169.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.47 146.89 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.027 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.301 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.86 155.81 39.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.953 -0.467 . . . . 0.0 110.708 176.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -74.05 127.44 32.9 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.681 -0.637 . . . . 0.0 109.693 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.3 1.62 55.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.025 -0.875 . . . . 0.0 114.71 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.04 179.37 6.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 119.193 1.496 . . . . 0.0 111.514 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -102.87 169.61 8.49 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -155.32 153.27 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 124.373 1.069 . . . . 0.0 110.78 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -106.15 143.4 34.33 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.85 0.86 . . . . 0.0 109.693 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG22 HG21 ' A' ' 19' ' ' VAL . 40.0 t -132.21 112.33 14.38 Favored Pre-proline 0 CA--C 1.529 0.159 0 C-N-CA 123.102 0.561 . . . . 0.0 110.926 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.16 136.26 19.85 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.834 2.356 . . . . 0.0 110.189 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.5 t -149.18 145.26 27.07 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.691 0.396 . . . . 0.0 110.236 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.2 m -145.54 152.98 40.59 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.87 0.868 . . . . 0.0 110.326 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -150.13 171.77 16.36 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.82 -0.55 . . . . 0.0 112.055 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.26 153.98 39.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.074 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -153.75 159.64 31.84 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.886 0.874 . . . . 0.0 113.238 -174.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.57 151.48 62.13 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.14 2.56 . . . . 0.0 111.286 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.4 pt20 -81.64 13.77 2.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -92.52 149.86 21.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.28 5.15 87.53 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.666 -0.519 . . . . 0.0 113.364 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.484 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.56 173.55 13.04 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.468 1.134 . . . . 0.0 111.423 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.9 163.01 34.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -60.26 -21.41 61.84 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.2 t -76.19 -17.91 59.31 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.888 -0.507 . . . . 0.0 111.561 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -96.49 119.14 64.6 Favored Pre-proline 0 C--O 1.233 0.205 0 C-N-CA 122.892 0.477 . . . . 0.0 111.938 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.4 154.08 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.756 2.304 . . . . 0.0 110.485 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.57 152.96 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -136.26 127.15 27.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.449 171.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.72 158.9 15.56 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -151.67 147.85 27.23 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -118.02 148.05 42.62 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 122.906 0.482 . . . . 0.0 112.174 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -143.05 151.82 41.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -79.51 141.5 36.64 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.35 137.86 57.84 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.991 -0.443 . . . . 0.0 110.829 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.75 -3.07 87.62 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 118.946 -0.919 . . . . 0.0 114.11 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 24.4 p30 -89.43 -174.92 4.55 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HD2' ' C ' ' A' ' 55' ' ' ASP . 3.2 mpt_? -126.93 111.33 22.02 Favored Pre-proline 0 CA--C 1.532 0.259 0 O-C-N 122.234 -0.291 . . . . 0.0 110.431 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.81 -9.25 24.53 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.523 2.815 . . . . 0.0 112.746 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.542 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 17.3 m-85 -85.25 -3.03 58.68 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -151.8 -21.79 0.19 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -92.29 154.03 18.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.26 149.19 78.89 Favored Pre-proline 0 N--CA 1.455 -0.216 0 O-C-N 122.134 -0.354 . . . . 0.0 110.202 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.62 155.87 58.44 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.448 2.765 . . . . 0.0 109.816 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -79.15 -20.62 12.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 O-C-N 121.949 -0.47 . . . . 0.0 110.14 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.11 146.57 14.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.741 0.416 . . . . 0.0 109.992 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -158.31 156.53 30.77 Favored 'General case' 0 N--CA 1.46 0.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.74 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -87.3 -3.53 59.04 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.034 0.533 . . . . 0.0 111.618 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.51 135.97 96.57 Favored Pre-proline 0 N--CA 1.456 -0.165 0 O-C-N 122.028 -0.42 . . . . 0.0 111.315 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.67 -19.5 12.76 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.117 2.544 . . . . 0.0 111.74 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -113.54 -26.34 8.34 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -174.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -72.97 139.69 46.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -79.6 173.14 12.88 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.078 0.551 . . . . 0.0 110.63 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -136.94 162.75 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 123.487 0.715 . . . . 0.0 111.135 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -53.88 141.79 26.33 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.838 0.351 . . . . 0.0 111.596 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.42 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -81.75 -10.33 59.39 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.022 0.374 . . . . 0.0 110.66 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.427 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -119.39 4.98 11.17 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.34 119.99 9.56 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -13.15 5.43 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.75 0.691 . . . . 0.0 113.368 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -91.97 -28.31 17.31 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 118.488 1.144 . . . . 0.0 111.46 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.427 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -107.3 127.58 53.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 176.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.67 141.61 27.02 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.8 154.57 39.47 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.351 0.66 . . . . 0.0 109.434 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -132.79 173.16 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.156 0.983 . . . . 0.0 110.361 -178.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -178.32 52.91 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 121.413 0.452 . . . . 0.0 113.206 175.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.27 131.85 34.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.59 -38.61 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.607 0.763 . . . . 0.0 110.951 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -83.04 -7.4 59.66 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.252 0.221 . . . . 0.0 111.008 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -98.15 10.4 40.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.297 0.639 . . . . 0.0 111.354 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 56.51 34.72 24.82 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.345 0.658 . . . . 0.0 112.248 -176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -79.23 126.8 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.157 -0.339 . . . . 0.0 111.484 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.465 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 p -112.26 14.45 20.51 Favored 'General case' 0 N--CA 1.46 0.053 0 C-N-CA 123.313 0.645 . . . . 0.0 110.578 175.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -53.41 150.37 6.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.377 0.671 . . . . 0.0 110.822 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.6 tp -135.57 150.91 49.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.225 0.61 . . . . 0.0 110.544 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.478 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.2 t -126.49 134.84 50.82 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.296 0.638 . . . . 0.0 109.594 172.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.83 136.9 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -126.34 148.17 49.61 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 48.43 49.76 17.67 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 140.0 44.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.459 0.304 . . . . 0.0 111.784 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -137.5 166.26 24.3 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.465 0.706 . . . . 0.0 110.252 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.58 -16.47 25.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -171.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -82.09 -6.31 59.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.3 0.5 . . . . 0.0 111.531 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -92.88 -17.05 24.52 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 118.336 0.516 . . . . 0.0 110.282 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.11 137.14 53.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.63 -149.72 21.62 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -124.93 152.45 44.09 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.654 0.382 . . . . 0.0 110.433 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.08 160.92 38.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.313 1.045 . . . . 0.0 111.642 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -143.64 156.86 44.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -101.65 158.52 16.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -141.04 152.08 44.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.819 -0.551 . . . . 0.0 110.615 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -130.07 135.36 48.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.849 0.859 . . . . 0.0 111.658 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -140.41 133.9 30.03 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.543 0.737 . . . . 0.0 109.274 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.69 111.26 3.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.15 41.29 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.6 m -82.55 -6.98 59.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.159 0.584 . . . . 0.0 112.493 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 40.0 tpp -68.28 135.9 52.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.5 0.591 . . . . 0.0 111.48 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -145.81 123.22 11.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.454 1.102 . . . . 0.0 109.606 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.433 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 62.4 t-105 -159.86 142.32 13.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 117.997 0.362 . . . . 0.0 110.416 173.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.3 t -119.62 130.31 55.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.778 0.831 . . . . 0.0 109.765 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -83.85 78.41 9.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -148.22 157.69 43.64 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.9 p -74.75 160.79 30.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.435 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 15.3 mp0 -146.07 -161.99 1.43 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.931 1.293 . . . . 0.0 110.201 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.435 ' H ' ' HB3' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -43.66 -49.97 7.6 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 125.515 1.526 . . . . 0.0 112.843 -176.451 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.76 -14.61 3.16 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -79.89 139.23 37.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.4 141.25 41.69 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 122.626 0.371 . . . . 0.0 110.398 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -154.54 161.35 41.68 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.2 156.58 31.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.502 0.721 . . . . 0.0 111.844 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -136.9 172.02 13.64 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.536 1.135 . . . . 0.0 111.162 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.0 tp -114.84 122.57 46.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.853 0.861 . . . . 0.0 110.073 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.0 m -98.57 131.39 44.82 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.4 147.95 13.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 122.651 0.38 . . . . 0.0 109.994 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.22 155.11 46.08 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -134.28 143.23 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 123.006 0.522 . . . . 0.0 110.047 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.55 145.81 35.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.058 0.543 . . . . 0.0 112.426 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.72 149.89 39.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.016 -0.427 . . . . 0.0 111.045 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.31 -20.44 66.09 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.62 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER 53.69 12.24 0.38 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 173.245 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.02 22.02 1.1 Allowed 'General case' 0 N--CA 1.462 0.175 0 O-C-N 121.768 -0.582 . . . . 0.0 111.996 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -63.14 -9.97 31.7 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-O 120.07 -0.294 . . . . 0.0 112.966 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.1 m -77.77 -30.21 51.33 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 117.56 0.68 . . . . 0.0 111.0 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.3 mt -91.47 -6.63 52.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.235 0.614 . . . . 0.0 111.023 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.38 134.6 76.47 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.35 153.4 74.28 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 123.45 2.767 . . . . 0.0 111.015 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.678 -1.153 . . . . 0.0 110.204 -177.211 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.542 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.433 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.3 mtp . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.573 0.225 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -154.67 167.51 29.91 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.36 0.664 . . . . 0.0 110.249 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.28 163.97 52.52 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.729 -0.549 . . . . 0.0 111.729 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -66.73 142.55 57.36 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 -161.94 170.89 18.58 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.709 0.804 . . . . 0.0 110.05 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.76 141.4 58.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.305 0.642 . . . . 0.0 109.933 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.37 133.38 55.67 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 76.89 12.03 84.96 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.836 -0.424 . . . . 0.0 113.008 -177.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.8 129.2 38.47 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.288 1.044 . . . . 0.0 112.457 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.7 80.53 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.132 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -101.63 104.13 14.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 117.776 0.788 . . . . 0.0 110.188 175.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.25 162.08 36.34 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.515 177.095 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -147.27 146.76 29.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.386 0.675 . . . . 0.0 109.954 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.455 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.15 131.7 45.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.94 0.496 . . . . 0.0 109.734 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.77 160.2 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.936 0.494 . . . . 0.0 110.572 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -54.87 127.56 29.16 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.65 -28.0 60.67 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -173.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.4 123.69 7.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.496 HG21 HG22 ' A' ' 29' ' ' VAL . 45.0 t -111.89 128.99 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.298 1.1 p -115.35 129.27 56.55 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.83 147.6 30.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.507 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.29 154.91 40.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.002 0.43 . . . . 0.0 110.549 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -72.03 127.41 32.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.707 -0.621 . . . . 0.0 110.196 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.81 1.71 58.61 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.799 -1.0 . . . . 0.0 115.082 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.69 179.09 6.37 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.424 1.612 . . . . 0.0 111.777 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.1 p -101.22 168.64 9.43 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.93 155.34 5.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 124.56 1.144 . . . . 0.0 110.565 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -108.59 142.89 38.38 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.994 0.918 . . . . 0.0 109.703 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.496 HG22 HG21 ' A' ' 19' ' ' VAL . 40.3 t -131.7 112.17 14.99 Favored Pre-proline 0 C--O 1.231 0.124 0 C-N-CA 122.994 0.518 . . . . 0.0 111.04 177.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.37 136.42 19.65 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.59 2.193 . . . . 0.0 110.256 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -149.05 148.03 29.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.158 0.583 . . . . 0.0 110.184 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -148.11 155.53 41.55 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 123.595 0.758 . . . . 0.0 110.415 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -151.81 169.14 22.97 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -146.64 153.06 39.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -153.86 160.11 31.3 Favored Pre-proline 0 C--O 1.233 0.214 0 C-N-CA 124.078 0.951 . . . . 0.0 113.477 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -58.72 152.43 56.6 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.294 2.663 . . . . 0.0 111.486 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.5 pt20 -82.17 13.68 3.32 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -92.81 149.87 21.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.88 5.3 88.03 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.399 -0.667 . . . . 0.0 113.284 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.493 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.94 174.33 12.37 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 118.313 1.056 . . . . 0.0 110.651 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -146.03 164.48 31.98 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.4 -23.42 62.59 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -76.21 -14.93 60.13 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.13 119.23 62.44 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 122.985 0.514 . . . . 0.0 111.653 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.63 152.03 37.46 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 122.963 2.442 . . . . 0.0 110.476 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.11 152.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -136.27 128.22 29.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.053 -0.404 . . . . 0.0 110.578 172.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.3 158.34 16.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -150.72 147.64 27.58 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -118.51 148.38 42.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -143.57 152.91 42.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 75.5 mtt-85 -79.35 141.56 36.83 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.8 138.86 58.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.81 -5.61 81.56 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 118.976 -0.902 . . . . 0.0 113.9 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -85.6 179.17 7.16 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.396 1.598 . . . . 0.0 107.815 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -111.05 109.15 57.27 Favored Pre-proline 0 C--O 1.232 0.145 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.72 -10.12 26.0 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.94 2.427 . . . . 0.0 111.339 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.5 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 21.8 m-85 -89.84 -4.74 57.43 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -129.99 -32.24 1.86 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.853 0.751 . . . . 0.0 111.473 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -96.2 156.67 16.24 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.05 150.98 83.78 Favored Pre-proline 0 N--CA 1.453 -0.3 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.73 154.71 59.13 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.314 2.676 . . . . 0.0 110.003 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.3 m -77.64 -20.87 13.93 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.067 0 O-C-N 122.14 -0.35 . . . . 0.0 110.132 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.34 147.22 14.17 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -158.96 157.0 30.49 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 120.784 0.326 . . . . 0.0 111.835 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -86.47 -3.66 59.04 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.119 0.567 . . . . 0.0 112.089 174.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.4 136.18 96.65 Favored Pre-proline 0 CA--C 1.531 0.224 0 O-C-N 122.03 -0.419 . . . . 0.0 110.841 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.48 -20.52 10.84 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.197 2.598 . . . . 0.0 111.378 176.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -113.51 -24.81 9.07 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -174.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -74.62 141.61 44.65 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 122.321 -0.237 . . . . 0.0 110.409 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -80.89 173.29 12.75 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.959 0.409 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.26 163.84 32.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 C-N-CA 123.391 0.676 . . . . 0.0 110.771 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.34 138.62 38.98 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.727 0.299 . . . . 0.0 111.296 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.83 -23.75 63.35 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.557 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -82.41 -7.31 59.64 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.507 -0.282 . . . . 0.0 111.095 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -124.32 5.98 8.41 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.73 122.25 14.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.2 -14.31 4.03 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.595 -0.559 . . . . 0.0 112.929 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -90.46 -31.48 16.78 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.445 1.122 . . . . 0.0 111.429 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -104.67 126.62 51.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.59 141.35 26.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.67 154.2 39.79 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.492 0.717 . . . . 0.0 109.584 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.9 mt -131.35 174.18 10.32 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.177 0.991 . . . . 0.0 110.131 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.33 -177.72 50.54 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-O 121.073 0.263 . . . . 0.0 112.8 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -87.19 141.1 28.9 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.26 -41.02 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.693 0.397 . . . . 0.0 110.83 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -81.2 -8.66 59.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.737 0.415 . . . . 0.0 110.843 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.5 t -94.72 7.3 46.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.308 0.643 . . . . 0.0 111.638 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 57.21 33.97 24.11 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.312 0.645 . . . . 0.0 112.452 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -79.35 126.64 31.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.182 -0.324 . . . . 0.0 111.097 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.32 14.33 22.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.834 0.454 . . . . 0.0 110.916 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.4 m -52.71 150.52 5.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.425 0.69 . . . . 0.0 111.295 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.14 151.3 49.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.532 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.0 t -127.33 135.0 49.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.165 0.586 . . . . 0.0 109.733 172.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.4 138.3 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.96 150.03 50.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.1 t0 47.59 53.21 11.47 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.14 143.77 37.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -138.26 161.47 36.8 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 124.202 1.001 . . . . 0.0 109.337 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -60.41 -14.34 18.46 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -174.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -85.42 -3.3 58.8 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.079 0.4 . . . . 0.0 111.542 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -93.85 -17.58 22.91 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -69.57 136.03 50.78 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.19 -146.99 16.43 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -129.56 153.02 48.45 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.546 0.338 . . . . 0.0 110.574 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 76.2 m-85 -139.99 161.32 37.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.382 1.073 . . . . 0.0 111.287 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -144.17 158.52 43.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.253 25.4 t80 -105.42 158.94 16.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -138.42 151.1 47.15 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.032 0.533 . . . . 0.0 110.756 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -128.36 132.84 48.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.48 1.112 . . . . 0.0 110.526 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -139.69 132.39 28.98 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 169.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.87 112.6 3.66 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.18 -124.79 37.01 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.2 t -82.63 -12.84 57.37 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.905 0.482 . . . . 0.0 111.929 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.5 tpp -65.38 136.23 56.26 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -145.53 127.25 15.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.008 1.323 . . . . 0.0 108.888 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.474 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 65.5 t-105 -159.41 150.16 19.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.84 0.291 . . . . 0.0 110.343 174.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 t -128.62 128.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.139 0.576 . . . . 0.0 109.615 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -84.94 78.53 9.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -173.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.22 149.24 33.55 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.799 0.44 . . . . 0.0 110.489 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -64.06 149.81 46.74 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 122.817 0.447 . . . . 0.0 111.412 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -144.55 -160.49 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.415 0.686 . . . . 0.0 109.694 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.439 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -48.05 -49.46 31.34 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.826 0.85 . . . . 0.0 112.593 -174.109 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.72 -18.18 2.78 Favored 'General case' 0 C--N 1.335 -0.054 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -75.25 143.16 43.19 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -138.83 140.98 38.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.412 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -155.75 161.99 40.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -77.44 156.6 31.0 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.756 0.822 . . . . 0.0 112.118 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -136.32 171.54 14.33 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.453 1.101 . . . . 0.0 111.065 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.2 tp -113.39 122.2 46.64 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.691 0.797 . . . . 0.0 110.006 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -99.04 130.73 45.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.45 148.38 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.529 0.331 . . . . 0.0 110.2 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.06 155.36 46.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.66 143.0 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.276 0.63 . . . . 0.0 110.091 -176.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.52 146.88 36.92 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.048 0.539 . . . . 0.0 112.452 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.76 150.87 37.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.621 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.583 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.25 -23.4 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 174.102 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.322 1.0 OUTLIER 54.35 12.41 0.51 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 172.792 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.53 174.9 12.42 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 121.813 -0.555 . . . . 0.0 111.245 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -177.92 -175.05 44.78 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.6 p -68.79 162.74 25.66 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.949 0.404 . . . . 0.0 111.047 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.47 1.17 14.79 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.269 0.627 . . . . 0.0 112.455 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.33 136.85 96.89 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 123.265 0.626 . . . . 0.0 109.863 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.3 8.05 1.26 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 124.19 3.26 . . . . 0.0 112.963 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 . . . . . 0 C--O 1.253 1.28 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.445 179.673 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.5 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.474 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -76.35 -7.08 54.22 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.44 -168.75 53.74 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -148.47 163.68 36.44 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -156.19 170.9 21.16 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.179 0.592 . . . . 0.0 110.366 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.15 140.19 58.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.024 0.529 . . . . 0.0 109.9 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -57.93 133.65 55.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 172.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.42 11.67 85.28 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 119.642 -0.532 . . . . 0.0 113.074 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.15 131.06 46.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.546 1.173 . . . . 0.0 112.29 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.66 -7.8 79.78 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.658 -0.523 . . . . 0.0 112.03 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.54 103.54 14.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.856 0.828 . . . . 0.0 110.156 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -140.0 160.08 40.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.082 0.468 . . . . 0.0 110.474 177.058 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.9 147.23 30.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.556 0.742 . . . . 0.0 109.948 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.455 HE22 HD23 ' A' ' 12' ' ' LEU . 22.3 mp0 -127.84 125.72 40.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.329 0.652 . . . . 0.0 109.713 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -151.97 158.77 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 122.409 0.284 . . . . 0.0 111.519 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -53.72 132.26 40.75 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.191 0.996 . . . . 0.0 110.266 176.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -75.65 -29.95 59.28 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 tp -155.98 121.38 4.85 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.06 0.391 . . . . 0.0 110.271 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG21 HG22 ' A' ' 29' ' ' VAL . 43.1 t -108.57 123.44 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -107.48 127.78 53.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -135.1 144.95 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.44 156.25 39.68 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -72.83 130.55 40.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.684 -0.635 . . . . 0.0 110.002 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.98 1.75 65.03 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.694 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.75 178.82 6.36 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.369 1.584 . . . . 0.0 111.306 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -103.14 168.34 9.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -155.01 149.37 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.339 1.056 . . . . 0.0 110.796 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -104.4 141.64 35.99 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.848 0.859 . . . . 0.0 109.753 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.475 HG22 HG21 ' A' ' 19' ' ' VAL . 41.2 t -130.35 111.89 16.69 Favored Pre-proline 0 N--CA 1.456 -0.162 0 C-N-CA 123.125 0.57 . . . . 0.0 110.711 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.86 136.3 20.54 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.942 2.428 . . . . 0.0 110.082 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.4 t -149.47 143.49 25.7 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 122.727 0.411 . . . . 0.0 110.444 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -143.65 154.17 43.25 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.811 0.844 . . . . 0.0 110.404 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -151.24 171.45 17.4 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.978 -0.451 . . . . 0.0 112.164 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -148.0 154.53 40.42 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.539 0.336 . . . . 0.0 111.247 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -152.64 160.48 31.1 Favored Pre-proline 0 CA--C 1.532 0.256 0 C-N-CA 124.14 0.976 . . . . 0.0 113.37 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.25 151.1 62.16 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.517 2.811 . . . . 0.0 111.892 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.1 pt20 -88.45 35.81 0.77 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.196 0.598 . . . . 0.0 112.562 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.82 157.16 42.98 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.17 3.44 84.94 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.8 p-90 -151.64 175.29 12.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.65 0.725 . . . . 0.0 110.989 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -145.12 164.07 32.38 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -61.41 -21.81 64.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -76.28 -16.06 59.87 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.689 0.396 . . . . 0.0 111.817 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -98.8 121.87 54.74 Favored Pre-proline 0 CA--C 1.528 0.099 0 C-N-CA 122.882 0.473 . . . . 0.0 111.645 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.95 152.19 40.73 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.05 2.5 . . . . 0.0 110.332 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.86 152.31 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -136.07 127.88 29.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.264 -0.272 . . . . 0.0 110.364 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.26 157.14 15.66 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -150.5 147.15 27.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -117.07 146.97 42.77 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -144.59 154.7 43.12 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.397 0.679 . . . . 0.0 112.097 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.6 mtm180 -87.13 144.93 26.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 177.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.03 138.44 57.86 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.162 -0.336 . . . . 0.0 111.034 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.41 -4.19 85.27 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.847 -0.974 . . . . 0.0 114.015 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -89.2 -171.12 3.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.268 1.534 . . . . 0.0 107.792 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -125.74 105.49 26.65 Favored Pre-proline 0 CA--C 1.528 0.133 0 C-N-CA 123.076 0.551 . . . . 0.0 110.165 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -73.06 -8.23 21.84 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.705 2.937 . . . . 0.0 112.16 -174.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.539 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 26.1 m-85 -87.44 -3.56 59.01 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -151.48 -22.66 0.2 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -87.26 155.98 19.84 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.536 0.607 . . . . 0.0 109.38 175.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.03 146.87 76.07 Favored Pre-proline 0 N--CA 1.453 -0.306 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.4 155.45 60.0 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.392 2.728 . . . . 0.0 109.786 176.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -78.08 -20.0 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.012 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 149.11 12.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.788 0.435 . . . . 0.0 110.092 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -158.52 158.32 33.78 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 122.761 0.424 . . . . 0.0 111.629 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -84.41 -8.44 58.97 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.183 0.593 . . . . 0.0 111.816 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -69.5 134.1 88.79 Favored Pre-proline 0 N--CA 1.452 -0.356 0 O-C-N 122.0 -0.438 . . . . 0.0 111.768 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.05 -21.51 12.12 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.315 2.677 . . . . 0.0 111.496 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -103.67 -25.44 13.15 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -77.18 138.36 39.41 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.429 0.291 . . . . 0.0 110.393 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.24 172.67 13.46 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 121.104 0.478 . . . . 0.0 110.403 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.13 163.81 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.839 0.855 . . . . 0.0 110.986 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -54.02 139.21 35.27 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.619 0.247 . . . . 0.0 111.034 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.08 63.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -90.27 -1.0 57.88 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.147 -0.346 . . . . 0.0 111.507 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.1 p -125.39 3.7 7.72 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.86 121.77 13.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.53 -11.47 9.63 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.147 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -94.54 -33.44 13.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.487 1.144 . . . . 0.0 111.197 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -103.95 125.27 50.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.22 142.78 28.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.88 154.45 39.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.238 0.615 . . . . 0.0 109.483 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.9 mt -131.84 173.14 11.48 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.876 0.87 . . . . 0.0 110.161 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.64 -177.85 53.59 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 121.329 0.405 . . . . 0.0 112.968 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.43 132.14 34.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -62.54 -38.8 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.419 0.688 . . . . 0.0 111.31 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -83.48 -5.7 59.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.604 0.361 . . . . 0.0 111.078 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.5 t -98.33 9.48 42.96 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.54 0.736 . . . . 0.0 111.167 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.49 34.68 24.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.278 0.631 . . . . 0.0 112.319 -175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -79.0 127.65 32.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.922 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.471 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.08 14.73 18.36 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 122.958 0.503 . . . . 0.0 110.975 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.2 m -52.98 150.66 5.32 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.25 0.62 . . . . 0.0 111.028 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.19 149.5 48.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.042 0.537 . . . . 0.0 110.741 -174.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.482 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.5 t -123.93 138.81 54.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.586 0.754 . . . . 0.0 109.578 174.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.5 136.61 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -129.69 148.93 51.63 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 122.749 0.42 . . . . 0.0 111.062 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.5 t0 46.89 55.53 7.78 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.57 143.87 28.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -172.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -129.09 157.49 41.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.14 1.376 . . . . 0.0 108.933 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -62.89 -13.5 34.96 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.17 -4.19 59.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 111.594 176.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -89.48 -19.48 25.03 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -69.2 135.61 50.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.96 0.504 . . . . 0.0 109.761 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.93 -151.08 23.04 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.8 t -122.01 153.29 38.76 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 122.809 0.444 . . . . 0.0 111.017 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.546 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.0 m-85 -137.63 156.32 48.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.565 1.146 . . . . 0.0 112.89 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -143.44 155.84 44.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -104.25 157.09 17.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -176.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -135.84 149.09 48.93 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.841 0.457 . . . . 0.0 111.027 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -126.29 132.7 51.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.603 1.161 . . . . 0.0 110.477 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -139.35 133.36 31.02 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -154.66 110.63 3.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.46 -122.65 30.62 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -172.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.9 t -85.88 -7.79 58.47 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.914 0.486 . . . . 0.0 111.595 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.2 tpp -67.38 135.75 53.69 Favored 'General case' 0 C--N 1.34 0.18 0 O-C-N 121.841 -0.537 . . . . 0.0 110.981 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -146.59 123.98 11.65 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.39 1.076 . . . . 0.0 109.144 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.443 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 65.3 t-105 -159.18 149.01 18.91 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 117.725 0.238 . . . . 0.0 110.556 174.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -126.13 128.52 47.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.617 0.767 . . . . 0.0 109.418 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.68 78.37 9.87 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.48 152.64 39.34 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.984 0.514 . . . . 0.0 110.121 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.2 t -66.9 146.52 54.31 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.993 0.517 . . . . 0.0 111.099 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -141.71 -159.75 1.0 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.405 0.682 . . . . 0.0 109.976 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.42 -49.94 23.92 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.925 0.89 . . . . 0.0 112.881 -174.652 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -131.99 -19.91 2.53 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 176.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -74.63 141.67 44.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -137.76 141.23 40.94 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 t -155.92 165.72 35.64 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.16 154.32 42.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -138.52 168.25 20.18 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.516 1.127 . . . . 0.0 110.54 177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.11 124.18 50.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.535 0.734 . . . . 0.0 109.72 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.2 m -100.03 132.33 45.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 170.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -110.63 148.3 14.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.46 154.24 46.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.62 142.24 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.258 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.68 145.24 34.67 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.056 0.543 . . . . 0.0 112.45 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.59 149.96 41.74 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.163 -0.335 . . . . 0.0 111.118 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.39 -22.22 66.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.708 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER 54.71 12.64 0.59 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.87 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.47 174.76 12.55 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.344 -0.847 . . . . 0.0 111.317 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -178.29 173.1 45.59 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.8 p -73.07 165.87 24.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 110.871 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.98 0.27 21.78 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.642 0.377 . . . . 0.0 111.855 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.56 136.55 96.13 Favored Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 122.95 0.5 . . . . 0.0 109.988 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.08 168.19 18.04 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.6 2.867 . . . . 0.0 111.703 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.097 -177.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.539 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.443 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -154.05 164.66 38.11 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.129 0.572 . . . . 0.0 110.179 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.87 -175.68 47.2 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 60.56 166.66 0.08 Allowed 'General case' 0 C--O 1.234 0.274 0 N-CA-C 116.377 1.992 . . . . 0.0 116.377 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -153.61 171.2 19.15 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 123.236 0.614 . . . . 0.0 110.182 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -65.45 142.66 58.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.124 0.57 . . . . 0.0 109.684 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -58.61 133.03 55.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.32 8.68 87.04 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.768 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -57.89 131.73 51.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.712 1.256 . . . . 0.0 111.283 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 -8.04 80.73 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.024 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -101.65 105.01 15.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.886 0.843 . . . . 0.0 110.53 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.452 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.23 160.34 40.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.218 0.532 . . . . 0.0 110.697 176.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -147.69 144.63 28.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.532 -174.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.452 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -123.59 125.8 45.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.058 0.543 . . . . 0.0 109.602 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.68 158.77 3.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 122.915 0.486 . . . . 0.0 111.727 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -56.87 130.23 44.88 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.768 0.827 . . . . 0.0 109.613 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.65 -26.51 54.94 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.54 126.02 7.45 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.456 HG21 HG22 ' A' ' 29' ' ' VAL . 34.5 t -117.08 127.19 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -112.23 129.11 56.38 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 170.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -132.92 147.21 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.483 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.0 155.81 39.46 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.085 0.469 . . . . 0.0 110.152 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -72.59 127.07 31.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.912 -0.492 . . . . 0.0 109.964 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.82 3.12 59.43 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.6 -1.111 . . . . 0.0 115.128 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.59 -177.69 4.59 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.573 1.686 . . . . 0.0 111.525 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -105.89 167.96 9.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.1 p -153.9 156.38 5.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 124.76 1.224 . . . . 0.0 110.711 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -110.55 142.58 42.16 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.815 0.846 . . . . 0.0 109.644 179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HG21 ' A' ' 19' ' ' VAL . 40.2 t -132.24 113.17 14.52 Favored Pre-proline 0 CA--C 1.527 0.066 0 C-N-CA 123.104 0.562 . . . . 0.0 110.848 177.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.73 136.43 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.663 2.242 . . . . 0.0 110.22 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.1 t -149.18 146.91 27.88 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.596 0.358 . . . . 0.0 110.154 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -146.96 155.94 42.67 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 123.442 0.697 . . . . 0.0 110.317 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -151.63 170.39 19.8 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.34 154.74 40.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.877 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -151.83 161.47 29.43 Favored Pre-proline 0 N--CA 1.454 -0.24 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.23 151.81 64.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.38 2.72 . . . . 0.0 111.781 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -90.21 35.9 0.87 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.189 0.596 . . . . 0.0 112.276 -176.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.79 155.79 45.39 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.86 3.93 79.53 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.942 -0.365 . . . . 0.0 112.244 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.7 p-90 -152.06 175.52 12.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.626 0.713 . . . . 0.0 111.221 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -143.63 161.74 37.73 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.12 -21.89 64.15 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -75.18 -23.16 57.68 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.978 -0.451 . . . . 0.0 111.669 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.07 120.39 69.89 Favored Pre-proline 0 C--N 1.339 0.129 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.625 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.44 153.9 45.06 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.371 2.047 . . . . 0.0 110.285 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.94 153.1 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -136.09 132.91 36.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.161 -0.337 . . . . 0.0 110.402 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 156.46 15.58 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -151.39 149.21 29.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -118.74 148.12 43.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.007 0.523 . . . . 0.0 112.374 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -146.48 154.67 41.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.723 0.809 . . . . 0.0 112.153 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 46.6 mtt180 -85.39 146.09 27.16 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.92 137.89 57.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.053 -0.404 . . . . 0.0 111.081 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.43 -2.62 86.5 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-O 118.966 -0.908 . . . . 0.0 114.45 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -87.12 -169.55 2.67 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.25 1.525 . . . . 0.0 108.632 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -125.98 101.45 29.15 Favored Pre-proline 0 CA--C 1.529 0.171 0 C-N-CA 122.961 0.504 . . . . 0.0 110.359 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.39 -8.07 22.01 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.691 2.927 . . . . 0.0 112.357 -174.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.573 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 10.7 m-85 -85.26 -3.39 58.81 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -176.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -152.59 -23.74 0.17 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.682 0.674 . . . . 0.0 112.811 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -82.44 156.37 24.15 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.49 0.586 . . . . 0.0 109.966 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.88 144.88 69.14 Favored Pre-proline 0 N--CA 1.452 -0.339 0 O-C-N 122.091 -0.381 . . . . 0.0 109.985 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.28 154.33 65.78 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 123.185 2.59 . . . . 0.0 109.603 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -76.69 -20.41 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.73 147.48 13.61 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.009 0.524 . . . . 0.0 110.166 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -159.42 157.08 29.54 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -88.44 -1.12 57.87 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.164 0.586 . . . . 0.0 111.643 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -64.37 137.52 97.15 Favored Pre-proline 0 CA--C 1.531 0.243 0 O-C-N 122.064 -0.398 . . . . 0.0 111.389 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -78.4 -20.75 10.81 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.019 2.479 . . . . 0.0 111.504 174.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -113.74 -26.06 8.39 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 -174.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -74.8 138.82 42.86 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.959 0.345 . . . . 0.0 110.126 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -79.91 174.56 11.46 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.946 0.403 . . . . 0.0 110.222 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.2 164.3 33.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.468 0.707 . . . . 0.0 111.043 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -54.33 138.57 39.03 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.569 0.224 . . . . 0.0 110.715 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.4 -20.56 63.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -91.98 -5.79 52.4 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.038 -0.414 . . . . 0.0 111.402 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.406 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 4.2 p -117.43 3.52 12.5 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.037 0.935 . . . . 0.0 113.521 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.44 120.73 11.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -15.21 3.91 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.724 0.678 . . . . 0.0 112.993 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -88.48 -31.12 18.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.352 1.076 . . . . 0.0 111.214 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 8.4 m-85 -107.25 126.86 52.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.66 140.7 26.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.78 154.59 39.49 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.6 mt -131.36 170.9 14.01 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.017 0.927 . . . . 0.0 110.041 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.65 -177.66 53.72 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 123.018 0.342 . . . . 0.0 112.935 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.71 133.14 34.31 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.68 -40.85 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.631 0.772 . . . . 0.0 111.033 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.07 -5.99 58.81 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.556 0.342 . . . . 0.0 111.248 -175.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -99.59 9.66 42.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.34 0.656 . . . . 0.0 111.154 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 56.64 34.77 25.07 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 112.445 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -77.96 127.1 31.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 174.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.39 13.64 20.28 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.925 0.49 . . . . 0.0 111.093 175.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -52.88 150.0 5.84 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.001 0.521 . . . . 0.0 110.89 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.4 tp -135.71 149.38 49.21 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.435 -173.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.474 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.8 t -124.84 133.08 53.23 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.105 0.562 . . . . 0.0 109.845 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.09 137.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -130.29 153.34 48.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.25 41.69 30.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.54 143.3 30.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -171.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -139.41 162.83 34.08 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.447 1.099 . . . . 0.0 109.397 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.69 -16.3 25.81 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -82.51 -4.1 56.98 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.093 0.406 . . . . 0.0 111.887 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -92.21 -20.35 21.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -67.07 134.08 51.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.701 0.4 . . . . 0.0 110.119 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.69 -150.75 22.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 t -122.0 151.67 40.55 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 110.809 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.555 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.2 m-85 -138.39 157.43 46.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.514 1.126 . . . . 0.0 112.634 -175.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -143.58 154.55 43.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -100.51 158.1 16.17 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -137.24 150.27 47.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.921 0.391 . . . . 0.0 110.821 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.94 132.93 51.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.277 1.031 . . . . 0.0 110.08 -175.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.81 131.98 29.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 169.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -154.45 110.96 3.28 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -124.83 37.48 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 108.976 -1.649 . . . . 0.0 108.976 -172.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -83.3 -8.76 59.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.819 0.448 . . . . 0.0 112.113 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.8 tpp -66.43 136.86 56.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.304 0.502 . . . . 0.0 111.357 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -148.26 123.98 10.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.873 1.269 . . . . 0.0 109.364 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.445 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.8 t-105 -161.45 131.73 4.99 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.393 0.542 . . . . 0.0 111.445 175.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.4 m -101.55 129.82 47.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 172.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -80.99 78.21 7.83 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -146.96 148.06 31.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.342 0.657 . . . . 0.0 110.333 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.3 p -69.49 152.98 44.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.273 0.629 . . . . 0.0 111.908 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -142.79 -154.7 0.54 Allowed 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.306 1.042 . . . . 0.0 110.195 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.18 -51.65 17.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.723 1.609 . . . . 0.0 112.587 -176.159 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.94 -16.72 2.86 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.845 0.458 . . . . 0.0 112.155 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -77.11 141.03 40.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.322 1.231 . . . . 0.0 114.322 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.88 140.99 38.58 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 122.92 0.488 . . . . 0.0 110.118 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -156.51 165.16 37.1 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.469 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.6 tpmt? -72.11 154.32 41.16 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.262 1.025 . . . . 0.0 111.377 -175.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -138.62 169.42 17.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.39 1.076 . . . . 0.0 110.572 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.3 tp -117.08 121.79 42.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.528 0.731 . . . . 0.0 109.922 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -97.35 129.94 44.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.93 148.13 11.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 173.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.49 155.21 45.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -133.7 143.16 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 123.166 0.587 . . . . 0.0 110.041 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -142.2 146.32 35.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.57 150.43 38.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.016 -0.427 . . . . 0.0 110.749 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -63.83 -29.35 70.55 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.638 0.375 . . . . 0.0 110.206 175.666 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 0.8 OUTLIER 53.97 9.59 0.22 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 117.985 2.587 . . . . 0.0 117.985 174.144 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.76 19.49 1.02 Allowed 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.758 -0.588 . . . . 0.0 112.405 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.2 -165.94 54.76 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 112.285 -0.326 . . . . 0.0 112.285 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 68.1 m -65.23 158.27 26.65 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.3 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 76.4 mt -76.54 0.92 18.22 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.259 0.624 . . . . 0.0 112.253 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 145' ' ' ARG . 23.7 t -65.35 134.43 95.69 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 122.889 0.476 . . . . 0.0 110.645 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.49 1.58 6.06 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.814 3.01 . . . . 0.0 113.256 -177.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.417 ' H ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 CA-C-O 117.77 -1.11 . . . . 0.0 111.163 -178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.573 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.445 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HG2' ' H ' ' A' ' 3' ' ' GLY . 57.6 ttm . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -71.68 -4.01 24.98 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.475 0.71 . . . . 0.0 112.818 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.487 ' H ' ' HG2' ' A' ' 1' ' ' MET . . . 75.41 -174.32 52.33 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.98 156.25 38.93 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -155.36 169.02 25.19 Favored 'General case' 0 CA--C 1.524 -0.05 0 C-N-CA 123.118 0.567 . . . . 0.0 110.463 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.93 139.82 58.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.004 0.522 . . . . 0.0 109.845 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.89 133.92 55.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.44 11.02 85.73 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.898 -0.39 . . . . 0.0 113.059 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.1 130.51 42.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.491 1.145 . . . . 0.0 112.575 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.69 79.29 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.548 -0.585 . . . . 0.0 111.859 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -101.32 105.29 16.34 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.794 0.797 . . . . 0.0 110.074 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.44 160.99 38.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 110.545 176.657 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.28 147.19 31.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.519 0.728 . . . . 0.0 109.898 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.479 HE22 HD23 ' A' ' 12' ' ' LEU . 22.8 mp0 -127.35 125.11 40.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.367 0.667 . . . . 0.0 109.563 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.34 158.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.356 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -55.2 129.17 37.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 109.94 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -74.89 -28.38 60.62 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.22 124.37 6.86 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.981 0.419 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG21 HG22 ' A' ' 29' ' ' VAL . 37.3 t -114.02 126.66 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.3 p -112.04 127.67 55.96 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 169.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -131.74 145.94 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.03 157.46 38.17 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.08 -0.388 . . . . 0.0 110.384 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -72.91 128.88 36.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.719 -0.613 . . . . 0.0 110.272 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.41 65.98 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.888 -0.951 . . . . 0.0 115.206 174.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.23 178.91 6.08 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.329 1.565 . . . . 0.0 111.049 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.4 p -101.79 168.72 9.26 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -154.85 154.59 6.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.503 1.121 . . . . 0.0 110.44 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -108.68 142.99 38.36 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.334 1.053 . . . . 0.0 109.952 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.455 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -133.19 112.55 13.23 Favored Pre-proline 0 N--CA 1.456 -0.138 0 C-N-CA 123.004 0.522 . . . . 0.0 110.687 177.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.4 137.71 21.19 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.706 2.27 . . . . 0.0 110.115 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -150.27 143.64 25.06 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.784 0.434 . . . . 0.0 110.265 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -146.62 156.44 43.21 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.859 0.863 . . . . 0.0 110.338 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -152.03 173.01 15.41 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 t -149.1 155.35 40.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -152.03 160.73 31.06 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.85 151.87 61.61 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.549 2.833 . . . . 0.0 111.929 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -88.6 36.0 0.79 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.63 157.19 41.98 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.89 2.6 86.25 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.852 -0.416 . . . . 0.0 112.317 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -151.91 175.97 11.94 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.891 0.846 . . . . 0.0 111.144 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -145.72 164.33 32.16 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.2 -22.39 65.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.916 0.486 . . . . 0.0 111.067 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -76.46 -15.49 59.89 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.863 -0.523 . . . . 0.0 111.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -98.49 122.27 54.06 Favored Pre-proline 0 N--CA 1.455 -0.19 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.96 151.72 40.05 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 123.08 2.52 . . . . 0.0 110.771 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.15 152.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -135.98 128.16 29.92 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 122.056 -0.402 . . . . 0.0 110.994 174.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.36 154.64 17.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.83 148.38 29.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.654 0.782 . . . . 0.0 110.527 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -124.19 144.37 49.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.331 0.653 . . . . 0.0 112.734 174.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.19 161.58 39.91 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 37.6 mtm180 -88.63 152.36 21.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.46 105.79 2.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.44 -0.79 5.6 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-O 118.909 -0.94 . . . . 0.0 113.804 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . 0.326 6.0 p30 -126.13 149.22 49.11 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.474 1.637 . . . . 0.0 115.02 173.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -84.84 118.1 70.22 Favored Pre-proline 0 C--N 1.34 0.179 0 C-N-CA 122.715 0.406 . . . . 0.0 110.964 -172.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.64 -12.87 22.36 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.37 2.713 . . . . 0.0 112.55 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 13.3 m-85 -85.81 -5.76 59.2 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -151.32 -20.53 0.2 Allowed 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -94.58 157.65 15.89 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 118.81 0.732 . . . . 0.0 109.763 174.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.78 144.68 76.97 Favored Pre-proline 0 N--CA 1.45 -0.438 0 O-C-N 121.96 -0.462 . . . . 0.0 110.525 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.86 159.19 54.24 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.685 2.923 . . . . 0.0 109.973 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.39 -21.44 12.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.1 146.92 14.42 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.79 0.436 . . . . 0.0 110.579 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -162.04 156.76 22.57 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.31 177.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -87.8 -3.91 58.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.322 0.649 . . . . 0.0 111.752 174.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.07 137.14 87.08 Favored Pre-proline 0 N--CA 1.451 -0.405 0 O-C-N 122.172 -0.33 . . . . 0.0 111.011 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.68 -11.68 13.99 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.774 2.982 . . . . 0.0 111.94 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -113.9 -36.53 4.77 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -70.36 133.72 47.2 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -82.19 177.81 8.6 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.24 161.32 41.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 122.978 0.511 . . . . 0.0 112.04 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -55.21 140.18 39.7 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 122.758 0.423 . . . . 0.0 110.92 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.33 -20.61 63.87 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.407 0.283 . . . . 0.0 111.698 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -90.71 -1.29 57.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.816 0.446 . . . . 0.0 111.4 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -127.57 5.61 6.2 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 119.66 9.41 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -176.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 -17.1 2.82 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.648 0.642 . . . . 0.0 113.238 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -85.7 -30.47 23.12 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.377 1.089 . . . . 0.0 111.109 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -107.18 128.11 54.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.09 142.4 26.24 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.73 153.86 39.86 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 94' ' ' SER . 19.1 mt -129.49 -16.69 3.84 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 111.839 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.52 151.79 38.5 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -74.78 138.19 42.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.94 -39.84 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.082 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -90.36 16.83 8.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.618 0.367 . . . . 0.0 111.447 -175.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -131.02 12.7 5.19 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.858 0.463 . . . . 0.0 111.437 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 55.02 31.3 15.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -91.25 133.39 35.44 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.464 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 3.6 p -113.44 16.14 18.94 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.907 0.883 . . . . 0.0 111.989 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.7 m -52.3 147.09 8.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.092 0.557 . . . . 0.0 111.685 -175.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.8 tp -134.21 152.42 51.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.856 0.863 . . . . 0.0 110.474 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.526 ' HB2' HD11 ' A' ' 83' ' ' LEU . 20.6 t -127.43 138.92 53.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.587 0.755 . . . . 0.0 109.788 172.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.2 137.37 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 171.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -128.78 148.64 50.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.15 53.5 11.62 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.42 142.71 42.96 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.44 162.33 33.96 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.945 0.898 . . . . 0.0 109.264 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.78 -15.95 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -84.45 -2.87 57.9 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.218 0.463 . . . . 0.0 111.407 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.09 -18.92 19.8 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -67.49 134.87 52.13 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.743 0.417 . . . . 0.0 109.985 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.0 -149.34 20.75 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.2 t -124.58 153.43 42.17 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.231 0.612 . . . . 0.0 110.827 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.488 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 52.9 m-85 -139.46 156.31 47.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.506 1.122 . . . . 0.0 113.273 -175.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -138.82 152.71 48.1 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.55 158.67 15.75 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -142.22 151.99 42.65 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.57 0.623 . . . . 0.0 110.986 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -125.17 138.1 54.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.341 1.056 . . . . 0.0 111.427 -171.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -141.04 134.54 29.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.757 0.823 . . . . 0.0 109.26 168.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -155.32 108.52 2.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.22 -123.35 33.17 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.2 m -83.66 -6.92 59.56 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.8 tpp -67.62 136.24 54.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.316 0.507 . . . . 0.0 111.175 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.27 121.26 8.8 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.818 1.247 . . . . 0.0 109.515 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.468 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.1 t-105 -160.35 131.6 5.76 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 118.104 0.411 . . . . 0.0 110.881 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -103.22 134.06 47.25 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -85.18 78.15 9.89 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -147.95 159.93 43.36 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 124.454 1.101 . . . . 0.0 109.181 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.3 p -80.59 153.83 27.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -138.06 -163.37 1.44 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.35 1.46 . . . . 0.0 110.11 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -49.73 4.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.356 1.462 . . . . 0.0 112.894 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -14.93 3.15 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -77.66 140.26 39.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.83 141.17 42.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.31 0.644 . . . . 0.0 110.663 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.18 164.94 38.13 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.1 154.18 41.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 111.28 -176.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -139.77 167.66 21.59 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.626 1.17 . . . . 0.0 110.658 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.22 122.38 46.6 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.249 0.619 . . . . 0.0 110.315 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.3 m -99.08 128.88 45.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.24 148.01 10.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 172.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.34 155.3 45.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -176.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -133.76 142.98 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.123 0.569 . . . . 0.0 110.094 -176.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.84 146.17 35.53 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.251 0.62 . . . . 0.0 112.224 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.51 150.66 38.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.608 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.92 -19.4 65.91 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER 55.04 14.11 0.9 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.45 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -129.67 -4.59 4.68 Favored 'General case' 0 N--CA 1.458 -0.03 0 O-C-N 121.646 -0.658 . . . . 0.0 111.651 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -171.8 175.71 45.12 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.1 t -156.76 -37.77 0.08 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.876 0.47 . . . . 0.0 110.821 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 92.5 mt -83.18 5.48 22.63 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.431 0.692 . . . . 0.0 110.991 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 145' ' ' ARG . 21.4 t -61.92 135.25 94.51 Favored Pre-proline 0 CA--C 1.529 0.173 0 C-N-CA 123.458 0.703 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.79 -21.37 28.77 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.274 2.65 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.525 ' H ' HG12 ' A' ' 143' ' ' VAL . 38.5 mtp180 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 124.626 1.17 . . . . 0.0 111.499 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.543 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.468 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 111.434 0.161 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -75.9 -23.73 55.56 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.372 0.269 . . . . 0.0 111.711 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.92 170.07 53.27 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -65.76 153.37 42.01 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -71.89 168.37 18.08 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.312 0.645 . . . . 0.0 110.863 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.33 140.16 58.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.979 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.55 132.47 53.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.56 85.62 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 119.679 -0.512 . . . . 0.0 113.112 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.22 127.46 30.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.533 1.166 . . . . 0.0 111.914 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.64 -7.06 82.61 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.42 -0.656 . . . . 0.0 111.889 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -101.92 104.03 14.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 117.766 0.783 . . . . 0.0 110.25 175.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.47 160.56 39.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.742 177.209 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.35 147.04 30.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.724 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.459 HE22 HD23 ' A' ' 12' ' ' LEU . 23.0 mp0 -127.42 125.62 40.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.076 0.55 . . . . 0.0 109.921 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.409 ' H ' ' HG2' ' A' ' 128' ' ' LYS . 9.5 p -152.34 158.42 4.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 122.574 0.35 . . . . 0.0 111.19 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -53.48 131.22 37.88 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.988 0.915 . . . . 0.0 109.998 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.03 -29.9 60.93 Favored 'General case' 0 CA--C 1.523 -0.059 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -154.15 123.02 6.31 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.456 HG21 HG22 ' A' ' 29' ' ' VAL . 38.0 t -111.84 127.7 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.34 129.11 56.62 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 169.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -133.32 147.36 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.155 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.45 157.1 38.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.948 0.404 . . . . 0.0 110.396 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -73.92 129.43 37.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.619 -0.676 . . . . 0.0 110.089 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.44 1.02 60.8 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-O 118.755 -1.025 . . . . 0.0 114.837 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.36 179.29 6.12 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.406 1.603 . . . . 0.0 111.466 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -102.4 168.8 9.09 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.78 154.87 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.506 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -110.08 141.97 42.18 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.98 0.912 . . . . 0.0 109.873 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HG21 ' A' ' 19' ' ' VAL . 40.8 t -131.48 112.87 15.41 Favored Pre-proline 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 110.78 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.18 135.92 19.37 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 122.98 2.453 . . . . 0.0 110.149 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.7 t -148.69 142.92 26.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.909 0.484 . . . . 0.0 110.252 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -143.53 153.4 42.55 Favored 'General case' 0 CA--C 1.524 -0.022 0 C-N-CA 123.858 0.863 . . . . 0.0 110.916 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -149.8 171.41 16.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 118.362 0.528 . . . . 0.0 112.379 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 t -148.39 153.52 38.67 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.747 0.419 . . . . 0.0 110.816 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -154.55 160.57 30.79 Favored Pre-proline 0 CA--C 1.529 0.156 0 C-N-CA 124.06 0.944 . . . . 0.0 113.302 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -59.25 153.19 54.78 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.098 2.532 . . . . 0.0 111.849 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.494 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 14.4 pt20 -82.28 14.29 3.03 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -92.88 150.38 20.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.29 6.12 86.51 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.244 -0.753 . . . . 0.0 113.531 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.494 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.4 p-90 -148.34 175.26 11.25 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.536 1.168 . . . . 0.0 111.752 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.49 162.55 35.52 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.64 -21.43 60.46 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -75.29 -14.62 60.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.872 0.469 . . . . 0.0 111.851 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -96.59 125.55 46.66 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.81 151.87 36.44 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.293 2.662 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.46 99.18 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.7 m-70 -84.09 123.28 29.88 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.557 -0.715 . . . . 0.0 110.786 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.17 157.23 18.49 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -151.7 149.93 29.65 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -118.68 147.43 43.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.884 0.474 . . . . 0.0 111.911 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.47 152.5 45.69 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -77.1 137.98 39.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.58 135.01 57.23 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.033 -0.417 . . . . 0.0 110.741 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.74 -3.42 86.87 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 118.314 -1.27 . . . . 0.0 114.137 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -84.8 -176.78 6.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.625 1.712 . . . . 0.0 107.772 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -121.8 108.44 34.95 Favored Pre-proline 0 C--N 1.339 0.116 0 C-N-CA 122.953 0.501 . . . . 0.0 109.773 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.67 -12.54 26.77 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.511 2.807 . . . . 0.0 112.324 -176.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.476 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 8.2 m-85 -83.51 -8.22 59.39 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -176.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -151.55 25.92 0.67 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.432 0.56 . . . . 0.0 111.986 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -152.26 159.81 43.46 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.55 151.36 71.55 Favored Pre-proline 0 N--CA 1.451 -0.397 0 C-N-CA 122.48 0.312 . . . . 0.0 110.862 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.48 157.56 44.85 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.301 2.667 . . . . 0.0 109.872 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.4 -20.52 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.095 0 O-C-N 121.649 -0.657 . . . . 0.0 109.872 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.18 147.51 16.28 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -153.89 157.2 38.89 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.387 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -7.12 56.08 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.393 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -69.92 140.43 88.75 Favored Pre-proline 0 N--CA 1.454 -0.251 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -76.84 -20.0 13.7 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 123.381 2.721 . . . . 0.0 111.544 174.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -107.87 -24.77 11.52 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -175.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -75.55 140.77 42.92 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 120.74 0.305 . . . . 0.0 110.725 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 pm0 -76.83 177.95 7.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.46 0.704 . . . . 0.0 111.264 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.88 163.61 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 124.126 0.971 . . . . 0.0 110.829 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -54.97 144.25 23.8 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.647 0.379 . . . . 0.0 111.752 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.54 62.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -83.0 -7.13 59.7 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.081 0.4 . . . . 0.0 111.135 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.0 p -121.15 3.85 10.38 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.07 123.23 18.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -175.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.83 2.8 65.87 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.048 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -115.91 -28.37 6.69 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.245 1.023 . . . . 0.0 112.052 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.15 127.42 53.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.853 1.056 . . . . 0.0 113.853 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -146.83 142.42 27.67 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.99 154.39 39.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.313 0.645 . . . . 0.0 109.755 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.3 mt -132.33 172.18 12.77 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.051 0.94 . . . . 0.0 110.109 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.55 -175.74 54.82 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 121.141 0.301 . . . . 0.0 113.198 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.5 133.5 35.87 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.59 -38.04 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.465 0.706 . . . . 0.0 110.834 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -88.5 16.94 5.8 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.805 0.442 . . . . 0.0 111.112 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -130.81 14.94 5.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.264 0.626 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 55.83 35.37 25.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.729 0.811 . . . . 0.0 113.047 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -78.55 128.48 33.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.633 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 6.0 p -114.78 14.56 17.45 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.27 0.628 . . . . 0.0 111.2 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.5 m -54.03 150.64 7.75 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.223 0.609 . . . . 0.0 110.898 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -136.01 149.8 48.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.389 0.676 . . . . 0.0 110.716 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.471 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.5 t -125.28 136.42 53.5 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.197 0.599 . . . . 0.0 109.659 173.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.3 137.55 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -128.81 148.36 50.87 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 122.866 0.466 . . . . 0.0 109.846 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.25 53.12 11.23 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.09 45.25 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -137.84 163.63 30.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.197 0.999 . . . . 0.0 109.662 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.63 -15.7 31.04 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -82.36 -6.99 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.248 0.477 . . . . 0.0 111.509 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -90.0 -19.4 24.49 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 122.663 0.385 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -69.44 133.58 47.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.155 0.582 . . . . 0.0 109.953 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -150.46 22.24 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.96 152.66 42.25 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.802 0.441 . . . . 0.0 111.079 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -141.09 162.29 35.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.274 1.03 . . . . 0.0 111.606 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -144.06 156.64 44.45 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -101.65 157.37 16.88 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -137.79 148.07 45.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 110.883 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp -121.86 134.73 54.88 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.607 1.163 . . . . 0.0 109.794 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -140.13 130.21 24.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -154.19 108.6 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.21 -123.45 33.04 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 -172.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.5 t -83.77 -11.16 57.47 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -66.15 139.85 58.16 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 122.02 -0.425 . . . . 0.0 111.33 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.411 ' HB2' ' H4 ' ' A' ' 205' ' ' SIA . 60.1 mttm -151.89 128.34 10.67 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 124.343 1.057 . . . . 0.0 108.701 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -161.56 129.48 4.2 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.217 0.462 . . . . 0.0 110.873 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.6 m -99.43 126.65 45.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -79.6 78.1 6.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -144.02 152.05 40.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.761 0.824 . . . . 0.0 109.355 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.5 p -69.88 154.68 41.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -146.05 -159.36 1.0 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.0 -49.34 16.15 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.123 0.969 . . . . 0.0 112.827 -174.441 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.31 -17.13 2.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.788 0.435 . . . . 0.0 112.166 176.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -76.01 143.81 41.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -138.09 141.3 40.24 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.409 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.72 166.72 32.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 15' ' ' VAL . 15.9 tppt? -72.86 154.71 40.48 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.649 1.18 . . . . 0.0 111.714 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -140.15 167.67 21.6 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 124.394 1.077 . . . . 0.0 110.635 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.7 tp -113.76 124.98 53.58 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.355 0.662 . . . . 0.0 110.293 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 65.6 m -100.96 131.43 46.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 170.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.19 148.22 13.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.575 0.35 . . . . 0.0 110.278 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.2 45.95 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.06 143.08 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.091 0.556 . . . . 0.0 110.48 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.5 t -142.42 145.34 33.7 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.95 150.99 40.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.138 -0.351 . . . . 0.0 110.709 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.75 -22.48 66.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.646 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER 54.43 12.48 0.53 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 172.825 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.1 172.77 14.74 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.781 -0.574 . . . . 0.0 111.331 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 175.8 176.11 43.75 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 86.3 p -158.25 171.7 19.72 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.079 0.552 . . . . 0.0 110.262 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.8 mt -75.63 -1.98 27.16 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.538 0.335 . . . . 0.0 111.429 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 62.44 130.71 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 125.033 1.333 . . . . 0.0 113.719 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.22 -25.97 49.72 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.76 2.307 . . . . 0.0 112.151 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.985 -1.483 . . . . 0.0 112.487 177.053 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.476 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.411 ' H4 ' ' HB2' ' A' ' 116' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.64 0.257 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -74.45 8.07 2.5 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.454 0.701 . . . . 0.0 111.96 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.84 14.51 67.3 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 62.69 163.73 0.1 Allowed 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -176.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -156.25 170.25 22.67 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.092 0.557 . . . . 0.0 110.478 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.82 140.39 58.86 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.255 0.622 . . . . 0.0 109.647 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -58.04 133.99 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 11.77 85.18 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.808 -0.44 . . . . 0.0 112.906 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.33 131.91 46.77 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.513 1.157 . . . . 0.0 112.595 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 -8.18 77.37 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 119.613 -0.548 . . . . 0.0 112.239 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.13 102.44 13.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.835 0.818 . . . . 0.0 110.532 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -140.25 160.6 39.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.502 0.668 . . . . 0.0 110.654 177.081 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -147.57 145.55 29.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.363 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.453 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -124.95 127.08 46.49 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.23 157.53 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 122.63 0.372 . . . . 0.0 111.479 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -53.4 131.58 38.12 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.821 0.848 . . . . 0.0 110.135 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.65 -30.84 61.76 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -154.45 121.99 5.78 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.023 0.439 . . . . 0.0 109.86 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 29' ' ' VAL . 40.8 t -109.84 127.09 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -113.0 128.85 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 169.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -132.95 147.43 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.65 40.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 110.638 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -72.89 127.38 32.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.707 -0.62 . . . . 0.0 109.944 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.32 1.65 59.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.683 -1.065 . . . . 0.0 115.107 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.92 178.51 6.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.403 1.601 . . . . 0.0 111.614 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.7 p -102.08 168.53 9.32 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -175.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -154.4 156.68 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 C-N-CA 124.434 1.094 . . . . 0.0 110.911 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -110.44 143.34 40.88 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.135 0.974 . . . . 0.0 109.804 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 19' ' ' VAL . 40.6 t -132.31 112.46 14.28 Favored Pre-proline 0 N--CA 1.457 -0.123 0 C-N-CA 123.259 0.624 . . . . 0.0 110.701 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.3 135.05 18.04 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.825 2.35 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -147.98 147.59 29.81 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.889 0.475 . . . . 0.0 109.997 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 t -147.67 155.81 42.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.349 0.66 . . . . 0.0 110.654 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -151.58 169.76 21.31 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.6 t -146.93 154.2 40.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -152.66 161.02 30.33 Favored Pre-proline 0 N--CA 1.455 -0.178 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.26 151.15 61.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.571 2.848 . . . . 0.0 111.772 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 15.2 pt20 -90.16 36.31 0.87 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -130.03 156.56 44.28 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.76 2.88 84.03 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.797 -0.446 . . . . 0.0 112.269 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -151.3 175.69 11.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 117.736 0.768 . . . . 0.0 110.734 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -145.58 163.52 34.52 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -61.5 -21.78 64.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.115 0.566 . . . . 0.0 112.089 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -76.57 -17.03 59.44 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -97.89 120.38 60.26 Favored Pre-proline 0 N--CA 1.457 -0.113 0 C-N-CA 122.529 0.332 . . . . 0.0 110.841 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.36 153.05 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.55 2.167 . . . . 0.0 110.535 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.5 152.43 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -136.21 130.53 33.27 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.697 0.284 . . . . 0.0 110.48 171.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 157.09 15.88 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -150.93 146.03 26.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -115.91 147.86 40.65 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.152 0.581 . . . . 0.0 111.919 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.1 150.71 43.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -76.65 137.67 39.58 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.23 135.41 57.1 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.034 -0.416 . . . . 0.0 110.294 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.16 -4.76 86.06 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 118.997 -0.89 . . . . 0.0 114.247 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -85.91 -176.7 6.1 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.467 1.634 . . . . 0.0 107.699 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -119.4 105.62 43.81 Favored Pre-proline 0 CA--C 1.529 0.153 0 C-N-CA 122.73 0.412 . . . . 0.0 109.937 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -71.16 -8.83 24.34 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.594 2.862 . . . . 0.0 112.198 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.499 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 32.1 m-85 -82.66 -6.33 59.31 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.318 0.647 . . . . 0.0 109.476 -176.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -151.5 -24.06 0.2 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -81.68 156.15 25.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.342 0.519 . . . . 0.0 110.417 175.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.22 147.23 72.41 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.64 157.35 55.99 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.55 2.833 . . . . 0.0 109.824 175.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.48 -21.2 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 CA-C-N 118.075 0.398 . . . . 0.0 110.126 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.61 145.78 14.54 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -159.14 155.92 28.11 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 122.292 0.237 . . . . 0.0 111.002 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -86.04 -3.6 58.98 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.051 0.54 . . . . 0.0 111.974 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -62.97 135.61 96.25 Favored Pre-proline 0 N--CA 1.455 -0.196 0 O-C-N 122.082 -0.386 . . . . 0.0 111.163 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -77.8 -19.73 12.41 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.349 2.699 . . . . 0.0 111.48 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -113.12 -25.13 9.07 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -75.38 139.61 42.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.105 0.411 . . . . 0.0 110.456 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -80.08 173.84 12.19 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.93 0.492 . . . . 0.0 110.439 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.81 162.95 33.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 C-N-CA 123.413 0.685 . . . . 0.0 111.441 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -54.13 140.92 30.65 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.662 0.385 . . . . 0.0 111.392 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.47 -24.35 62.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -83.01 -7.13 59.7 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 117.918 0.326 . . . . 0.0 110.762 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.434 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.6 p -123.3 4.47 9.13 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -62.56 121.49 13.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.84 -6.99 23.27 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.355 -0.692 . . . . 0.0 113.34 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.7 mtm105 -102.27 -28.02 12.51 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.556 1.178 . . . . 0.0 111.91 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.5 m-85 -105.59 127.87 53.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.25 139.33 25.72 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.69 154.39 39.68 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.598 0.759 . . . . 0.0 109.586 175.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.3 172.66 12.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.131 0.972 . . . . 0.0 110.2 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.87 52.44 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 121.09 0.272 . . . . 0.0 113.275 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.44 132.91 33.84 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.42 -40.07 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.56 0.744 . . . . 0.0 111.111 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -82.81 -4.36 57.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 122.441 0.297 . . . . 0.0 111.059 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -101.7 10.16 40.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.42 0.688 . . . . 0.0 111.308 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 56.72 33.87 23.63 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -79.0 127.64 32.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.13 -0.356 . . . . 0.0 111.447 175.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.47 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.9 p -112.25 13.84 20.47 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 122.97 0.508 . . . . 0.0 111.013 175.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.9 m -53.2 150.64 5.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.252 0.621 . . . . 0.0 110.989 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.3 tp -136.59 150.52 48.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 -173.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.6 t -126.93 135.23 50.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.071 0.548 . . . . 0.0 109.874 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.64 138.5 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -127.8 147.28 50.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 47.68 51.57 13.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.85 143.51 36.95 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.696 0.398 . . . . 0.0 112.064 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -137.51 161.15 37.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 124.725 1.21 . . . . 0.0 109.714 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.02 -14.68 17.48 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -85.63 -5.78 59.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.157 0.435 . . . . 0.0 111.74 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -90.68 -18.79 24.46 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -67.36 134.84 52.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.278 0.631 . . . . 0.0 109.922 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.08 -151.33 23.14 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.7 152.77 41.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 117.202 0.501 . . . . 0.0 111.146 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -141.28 160.29 40.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.3 1.04 . . . . 0.0 111.5 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -142.54 158.0 44.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -103.45 160.28 14.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -140.59 149.88 42.92 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.167 0.439 . . . . 0.0 110.856 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -124.99 133.62 52.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.538 1.135 . . . . 0.0 110.072 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -140.13 132.17 27.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -154.25 111.1 3.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.61 -124.01 34.64 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.8 t -83.18 -11.85 57.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.016 0.527 . . . . 0.0 111.784 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.2 tpp -64.51 136.95 57.57 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.504 -0.748 . . . . 0.0 111.428 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -147.34 125.0 11.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.909 1.284 . . . . 0.0 109.676 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.466 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 63.7 t-105 -159.41 135.93 9.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.046 0.384 . . . . 0.0 110.966 173.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -108.12 127.69 54.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.0 0.92 . . . . 0.0 109.579 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -83.1 78.33 9.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -176.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -145.33 153.42 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 122.917 0.487 . . . . 0.0 109.982 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -69.15 153.08 44.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.701 0.286 . . . . 0.0 110.896 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -143.68 -160.57 1.13 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.399 0.68 . . . . 0.0 109.421 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.2 -48.99 23.72 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.1 0.96 . . . . 0.0 113.076 -174.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.86 -16.75 2.88 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -76.01 141.8 42.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.49 141.39 39.41 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 122.922 0.489 . . . . 0.0 110.081 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.72 166.19 34.26 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -72.73 155.42 39.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.27 1.028 . . . . 0.0 111.81 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -139.38 166.72 23.82 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.367 1.067 . . . . 0.0 110.342 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -113.78 124.58 52.59 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.485 0.714 . . . . 0.0 110.346 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 64.8 m -101.18 130.75 47.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.71 148.34 11.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 122.71 0.404 . . . . 0.0 110.154 173.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.18 155.2 45.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 47.6 t -134.85 142.8 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.038 0.535 . . . . 0.0 110.394 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.52 146.79 36.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.95 151.2 38.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.03 -0.419 . . . . 0.0 110.7 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.91 -21.75 66.87 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 173.469 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER 55.17 11.37 0.53 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 172.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.55 173.35 14.72 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.617 -0.677 . . . . 0.0 111.189 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 179.62 175.44 46.42 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.0 t 56.72 -172.08 0.08 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.143 0.977 . . . . 0.0 111.714 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 47.3 mt 57.62 12.87 1.71 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.348 1.059 . . . . 0.0 112.176 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.83 131.93 95.08 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 122.889 0.475 . . . . 0.0 110.878 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -69.04 140.81 46.36 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.986 2.457 . . . . 0.0 110.017 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.995 -1.479 . . . . 0.0 110.595 -176.031 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 204' ' ' G6S . . . . . 0.499 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' SIA . . . . . 0.466 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.56 130.92 48.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.12 10.8 85.23 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.068 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.46 132.86 54.99 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.572 1.186 . . . . 0.0 110.419 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.63 -8.35 79.94 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.65 -0.528 . . . . 0.0 112.04 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -101.85 106.7 17.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 117.646 0.723 . . . . 0.0 109.833 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -142.28 161.36 38.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.107 0.479 . . . . 0.0 110.658 176.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -146.91 145.72 29.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.599 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 12' ' ' LEU . 21.7 mp0 -128.1 131.0 49.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.76 158.23 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.024 0.529 . . . . 0.0 110.373 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -54.7 127.18 27.02 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.72 -28.17 61.57 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 tp -153.24 122.37 6.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 120.953 0.406 . . . . 0.0 109.906 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.508 HG21 HG22 ' A' ' 29' ' ' VAL . 42.7 t -111.39 127.2 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.305 1.1 p -113.89 128.04 56.23 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 169.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.92 147.88 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.28 155.82 39.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.033 0.444 . . . . 0.0 110.628 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.18 128.81 36.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.442 -0.786 . . . . 0.0 109.992 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.13 59.21 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 118.62 -1.1 . . . . 0.0 114.675 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.92 179.7 5.92 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.618 1.709 . . . . 0.0 111.426 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.0 p -102.09 169.0 9.02 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.92 148.8 12.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 C-N-CA 124.305 1.042 . . . . 0.0 110.535 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.446 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.9 t60 -100.92 143.76 30.69 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.654 0.782 . . . . 0.0 109.565 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.508 HG22 HG21 ' A' ' 19' ' ' VAL . 47.6 t -132.21 112.17 14.35 Favored Pre-proline 0 N--CA 1.456 -0.173 0 C-N-CA 123.147 0.579 . . . . 0.0 110.534 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.39 136.3 19.45 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.75 2.3 . . . . 0.0 110.393 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.466 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -148.78 147.5 28.87 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.747 0.419 . . . . 0.0 110.164 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -147.73 155.72 42.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.487 0.715 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -150.88 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.036 0.446 . . . . 0.0 112.176 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 t -148.67 153.55 38.43 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 122.583 0.353 . . . . 0.0 111.192 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -153.19 158.48 32.8 Favored Pre-proline 0 CA--C 1.53 0.2 0 C-N-CA 124.536 1.134 . . . . 0.0 113.167 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -64.12 155.38 65.22 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.011 2.474 . . . . 0.0 110.69 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.3 pt20 -82.29 17.41 1.69 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -94.5 152.86 18.23 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.65 2.95 89.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.181 -0.789 . . . . 0.0 114.35 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.0 p-90 -150.3 176.1 11.19 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.596 1.198 . . . . 0.0 111.368 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -144.68 161.52 38.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -60.79 -22.46 64.13 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.1 t -74.73 -22.4 58.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.086 -0.384 . . . . 0.0 111.59 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -90.47 120.76 68.95 Favored Pre-proline 0 C--O 1.232 0.153 0 C-N-CA 122.896 0.479 . . . . 0.0 111.979 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.05 152.99 41.19 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 123.088 2.525 . . . . 0.0 110.372 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.55 152.94 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -136.27 131.93 35.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.63 0.253 . . . . 0.0 110.669 171.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 156.99 15.93 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -150.07 146.41 26.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.59 147.75 44.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.27 0.628 . . . . 0.0 111.861 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -144.61 153.57 41.92 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.056 0.542 . . . . 0.0 110.564 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -75.19 147.39 40.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.346 0 O-C-N 121.988 -0.445 . . . . 0.0 110.34 179.736 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.9 160.35 46.19 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.652 2.902 . . . . 0.0 109.904 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -79.16 -20.6 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 O-C-N 122.083 -0.386 . . . . 0.0 110.056 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.12 145.91 13.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.841 0.456 . . . . 0.0 109.8 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.333 -0.127 0 CA-C-O 120.727 0.298 . . . . 0.0 111.637 178.125 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.46 0.047 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -55.19 140.34 39.01 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 122.791 0.437 . . . . 0.0 111.143 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -25.03 63.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.683 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -82.67 -5.72 59.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.003 0.365 . . . . 0.0 110.852 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.452 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.0 p -125.12 5.97 7.88 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.56 119.87 9.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.26 -13.38 4.72 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.49 -0.617 . . . . 0.0 113.366 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -90.67 -28.97 18.01 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.47 1.135 . . . . 0.0 111.349 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.452 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -106.88 127.42 53.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -146.46 142.3 27.98 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.76 154.41 39.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.474 0.709 . . . . 0.0 109.75 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 94' ' ' SER . 15.4 mt -132.54 172.98 11.81 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.967 0.907 . . . . 0.0 110.346 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.75 -176.79 52.45 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 116.564 -0.289 . . . . 0.0 112.583 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -88.5 141.26 28.68 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.52 -40.93 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.026 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -82.13 -6.96 59.58 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.74 0.416 . . . . 0.0 111.073 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.9 t -97.04 7.71 46.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.376 0.67 . . . . 0.0 111.462 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.91 33.27 22.94 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.242 0.617 . . . . 0.0 112.452 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.19 127.44 32.04 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.121 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.466 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -111.43 13.64 21.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.834 0.454 . . . . 0.0 111.03 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.68 149.6 5.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.31 0.644 . . . . 0.0 111.033 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.9 tp -134.75 151.1 50.72 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.568 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.493 ' HB2' HD11 ' A' ' 83' ' ' LEU . 16.5 t -125.99 136.53 53.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.406 0.682 . . . . 0.0 109.862 173.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.57 137.52 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -127.17 147.96 50.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.666 0.386 . . . . 0.0 110.156 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.78 52.49 12.69 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 142.31 42.21 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -174.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -137.88 161.71 35.91 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 124.399 1.08 . . . . 0.0 109.664 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.55 -15.21 16.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.09 -4.46 59.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.301 0.5 . . . . 0.0 111.663 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.28 -17.82 22.26 Favored 'General case' 0 N--CA 1.461 0.103 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -67.93 134.69 51.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.37 -148.94 20.3 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 t -125.47 153.49 43.45 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.778 0.431 . . . . 0.0 110.828 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -140.73 161.1 38.59 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.369 1.068 . . . . 0.0 111.56 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -144.44 156.24 44.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -104.9 160.35 15.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -140.61 150.9 44.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 118.263 0.483 . . . . 0.0 110.502 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.52 133.43 53.33 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.342 1.057 . . . . 0.0 110.321 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -139.03 131.22 28.18 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -153.62 110.99 3.48 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.82 -123.78 34.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -84.81 -7.68 59.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.717 0.407 . . . . 0.0 111.717 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.4 tpp -66.93 136.92 56.1 Favored 'General case' 0 N--CA 1.457 -0.103 0 O-C-N 121.724 -0.61 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -149.51 123.99 9.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.899 1.28 . . . . 0.0 109.372 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -161.93 128.6 3.77 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.392 0.542 . . . . 0.0 111.433 174.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.1 m -95.44 129.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -82.06 78.11 8.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -148.4 166.01 29.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.3 p -76.85 158.19 30.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.436 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.413 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.6 mp0 -142.16 -163.94 1.7 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.228 1.411 . . . . 0.0 109.707 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -44.74 -49.48 10.56 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 124.939 1.296 . . . . 0.0 112.862 -176.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.68 -15.9 3.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.87 139.12 39.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -136.55 141.25 43.35 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.094 0.558 . . . . 0.0 110.266 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -153.24 163.56 39.68 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 128' ' ' LYS . 21.5 ttmm -75.97 157.76 32.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.579 0.752 . . . . 0.0 111.811 -175.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -138.2 169.98 16.83 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.473 1.109 . . . . 0.0 110.963 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.5 tp -114.37 124.54 52.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.042 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.2 m -102.81 129.59 49.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.14 148.24 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 122.6 0.36 . . . . 0.0 110.277 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.82 155.09 45.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -176.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -134.91 143.05 38.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 C-N-CA 123.021 0.529 . . . . 0.0 110.371 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.56 147.42 37.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.69 151.3 37.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.08 -0.387 . . . . 0.0 111.046 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.591 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.17 -20.41 66.43 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.325 1.2 t . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 117.4 2.37 . . . . 0.0 117.4 172.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.01 133.27 54.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 172.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.08 12.07 84.98 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.007 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.93 130.7 42.39 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.548 1.174 . . . . 0.0 112.612 175.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.26 -8.29 80.07 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.636 -0.536 . . . . 0.0 112.289 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.34 107.29 18.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.558 0.679 . . . . 0.0 109.618 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -142.8 160.88 39.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.23 0.538 . . . . 0.0 110.557 175.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -146.49 147.18 30.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.224 0.609 . . . . 0.0 110.144 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -131.4 128.85 40.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.332 0.653 . . . . 0.0 109.247 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 159.59 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.128 0.571 . . . . 0.0 110.43 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -55.62 129.18 38.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -78.1 -25.68 47.67 Favored 'General case' 0 C--O 1.231 0.079 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -172.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -153.42 123.38 6.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.505 HG21 HG22 ' A' ' 29' ' ' VAL . 40.2 t -113.3 128.89 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -114.43 129.72 56.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 169.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.17 148.2 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.498 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.09 155.95 39.73 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.892 -0.505 . . . . 0.0 110.308 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.88 128.07 34.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.931 -0.481 . . . . 0.0 110.147 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.76 2.34 58.53 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.847 -0.974 . . . . 0.0 114.842 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.41 -179.4 5.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.43 1.615 . . . . 0.0 111.693 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.4 p -103.37 168.21 9.31 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.73 148.81 12.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 124.615 1.166 . . . . 0.0 110.643 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.436 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -101.56 142.95 32.15 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.607 0.763 . . . . 0.0 109.984 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.505 HG22 HG21 ' A' ' 19' ' ' VAL . 47.5 t -131.61 111.66 15.01 Favored Pre-proline 0 C--O 1.232 0.159 0 C-N-CA 123.013 0.525 . . . . 0.0 110.696 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.34 137.12 20.58 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.853 2.369 . . . . 0.0 110.061 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -149.39 144.07 26.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.187 0.595 . . . . 0.0 110.169 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.9 m -144.84 153.63 41.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.832 0.853 . . . . 0.0 110.346 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -151.39 171.77 16.98 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 121.881 -0.512 . . . . 0.0 111.61 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -148.13 155.03 40.96 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -152.23 161.48 29.25 Favored Pre-proline 0 N--CA 1.454 -0.256 0 C-N-CA 124.222 1.009 . . . . 0.0 113.7 -175.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.78 151.73 62.03 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.232 2.621 . . . . 0.0 111.972 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.26 35.99 0.87 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.533 0.733 . . . . 0.0 112.558 -176.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.43 156.83 44.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.61 4.06 83.3 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.934 -0.37 . . . . 0.0 112.373 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -152.12 175.74 12.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.689 0.745 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -144.89 164.02 32.35 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -63.28 -20.3 65.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.886 0.474 . . . . 0.0 110.705 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -77.55 -15.98 58.93 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.64 120.74 56.73 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.497 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.51 152.82 43.87 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.916 2.411 . . . . 0.0 110.448 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -75.38 153.04 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -136.18 130.18 32.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 122.081 -0.387 . . . . 0.0 110.486 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.45 157.09 15.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -149.95 151.5 33.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -127.19 148.29 50.19 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.459 0.703 . . . . 0.0 111.661 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -149.3 157.44 43.34 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.444 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 56.7 mtt-85 -74.88 152.11 38.91 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.119 178.751 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.94 156.76 55.97 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.808 2.339 . . . . 0.0 109.461 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -77.62 -21.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.733 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.82 145.04 13.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.929 0.491 . . . . 0.0 110.033 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.461 0.097 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 177.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.234 0.271 0 N-CA-C 111.39 0.144 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.49 141.77 29.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.898 0.38 . . . . 0.0 111.418 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -24.12 62.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.373 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -84.17 -4.38 58.77 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.377 -0.202 . . . . 0.0 111.185 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.442 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.4 p -125.98 6.01 7.26 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 178.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.08 119.59 8.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.79 -14.2 4.7 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.134 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -89.39 -27.04 20.7 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.446 1.123 . . . . 0.0 111.616 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.442 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -110.3 128.34 55.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -147.29 142.85 27.61 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.96 154.4 39.35 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.763 0.825 . . . . 0.0 109.894 175.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -132.6 176.14 8.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.241 1.016 . . . . 0.0 110.536 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.19 -178.68 51.19 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 121.156 0.309 . . . . 0.0 112.876 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.08 132.09 34.43 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.86 -39.14 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.603 0.761 . . . . 0.0 111.165 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -84.15 -6.52 59.41 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.396 0.278 . . . . 0.0 110.855 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 t -97.57 10.65 39.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.62 34.35 24.32 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.138 0.575 . . . . 0.0 112.327 -175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -79.68 126.99 31.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.865 -0.522 . . . . 0.0 111.955 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.479 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.03 14.73 20.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.058 0.543 . . . . 0.0 110.819 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 m -53.96 151.09 7.06 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.188 0.595 . . . . 0.0 111.017 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.23 151.15 49.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.426 -174.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.9 t -126.07 134.01 51.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.275 0.63 . . . . 0.0 109.584 173.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.35 136.43 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -128.48 152.51 48.16 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 52.84 41.55 31.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 144.23 27.87 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -171.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.39 162.16 35.98 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 124.96 1.304 . . . . 0.0 109.295 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -59.8 -14.55 15.3 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -173.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -83.86 -2.35 56.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.861 0.464 . . . . 0.0 111.794 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -96.17 -18.08 20.36 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 118.374 0.533 . . . . 0.0 109.677 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.18 133.96 50.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -149.2 20.76 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.4 t -125.81 153.28 44.29 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 116.976 0.388 . . . . 0.0 110.846 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.444 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 63.2 m-85 -140.89 160.17 40.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.32 1.048 . . . . 0.0 111.489 -176.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -141.26 155.82 45.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -101.68 160.37 14.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -141.73 150.6 42.02 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 118.222 0.465 . . . . 0.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -123.55 132.31 53.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.284 1.033 . . . . 0.0 110.254 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -138.85 131.07 28.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -154.11 111.94 3.51 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.06 -123.81 34.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 72.1 m -85.17 -7.04 59.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.002 0.521 . . . . 0.0 112.323 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.84 136.2 52.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.209 0.459 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.52 122.84 10.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.666 1.186 . . . . 0.0 109.182 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.5 t-105 -160.16 135.09 7.81 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.02 0.373 . . . . 0.0 110.555 174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -106.64 135.01 48.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.115 0.566 . . . . 0.0 109.481 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -86.52 78.45 9.2 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -149.02 161.88 41.04 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.223 1.009 . . . . 0.0 109.678 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -80.27 147.26 31.25 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -135.63 -164.6 1.57 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.567 1.547 . . . . 0.0 110.461 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -50.5 6.57 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.942 1.297 . . . . 0.0 113.005 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.52 -15.17 3.19 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -80.63 136.5 36.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -134.78 141.17 46.38 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.367 0.53 . . . . 0.0 110.004 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 t -153.85 162.13 41.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -76.64 155.98 33.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.821 0.848 . . . . 0.0 111.905 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -136.62 171.94 13.75 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.323 1.049 . . . . 0.0 111.225 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.6 tp -114.45 123.88 50.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.732 0.813 . . . . 0.0 109.764 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.8 m -101.36 129.9 47.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.7 t -107.02 148.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.25 155.1 46.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.95 142.59 39.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 123.217 0.607 . . . . 0.0 110.178 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.35 146.35 36.56 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.01 150.92 38.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.716 -0.615 . . . . 0.0 110.724 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.29 65.77 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.2 t . . . . . 0 CA--C 1.532 0.287 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 174.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.45 -0.439 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -57.68 135.33 56.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.5 9.45 86.84 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-O 119.614 -0.548 . . . . 0.0 112.815 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -55.27 131.95 46.7 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.504 1.152 . . . . 0.0 112.506 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.63 79.4 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 119.46 -0.633 . . . . 0.0 111.854 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.55 106.93 18.49 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 117.668 0.734 . . . . 0.0 109.991 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.428 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -143.09 160.98 39.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.414 0.626 . . . . 0.0 110.64 175.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.88 147.23 30.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.576 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.424 HE22 HD23 ' A' ' 12' ' ' LEU . 21.2 mp0 -129.58 130.78 46.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -152.65 159.89 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.919 0.488 . . . . 0.0 110.237 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.97 127.59 29.6 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.0 -27.04 59.98 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -154.24 123.35 6.41 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.511 HG21 HG22 ' A' ' 29' ' ' VAL . 41.4 t -111.98 128.08 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.297 1.1 p -114.19 127.69 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 169.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -133.53 146.67 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.0 0.52 . . . . 0.0 110.044 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.53 155.86 40.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.164 0.507 . . . . 0.0 110.686 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.36 127.7 33.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 121.537 -0.727 . . . . 0.0 109.81 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.95 58.9 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.87 -0.961 . . . . 0.0 114.923 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.08 179.05 6.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.286 1.543 . . . . 0.0 111.653 176.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -101.95 168.96 9.07 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.7 156.09 5.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 124.196 0.998 . . . . 0.0 110.607 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.444 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.9 t60 -108.82 142.69 39.03 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.048 0.939 . . . . 0.0 109.782 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.511 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -131.7 112.49 15.05 Favored Pre-proline 0 N--CA 1.456 -0.157 0 C-N-CA 122.958 0.503 . . . . 0.0 110.82 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.27 136.07 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.024 2.482 . . . . 0.0 110.363 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.5 t -148.38 148.47 30.38 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.196 0.598 . . . . 0.0 110.324 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -148.22 155.07 40.92 Favored 'General case' 0 CA--C 1.524 -0.058 0 C-N-CA 123.311 0.644 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -150.83 169.19 22.29 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -146.83 154.13 40.98 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.6 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -151.51 160.66 31.43 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.56 151.88 59.23 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.356 2.704 . . . . 0.0 111.924 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.4 pt20 -89.63 35.94 0.84 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -130.15 155.68 45.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.9 3.39 80.05 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.005 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -151.52 176.21 11.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.547 0.673 . . . . 0.0 111.232 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -145.57 164.13 32.63 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -62.24 -22.0 65.62 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.016 0.526 . . . . 0.0 111.767 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.6 m -76.3 -16.68 59.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.625 0.37 . . . . 0.0 111.979 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.62 119.97 61.52 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 152.4 44.83 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.006 2.471 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.87 153.15 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -136.11 128.92 31.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.18 172.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.74 157.16 16.81 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -151.1 147.45 27.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -119.32 148.02 43.64 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.275 0.63 . . . . 0.0 111.641 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -144.45 152.93 41.33 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.213 0.605 . . . . 0.0 111.389 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -75.13 146.73 41.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.32 157.81 58.14 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.242 2.628 . . . . 0.0 109.538 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 m -78.13 -22.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 O-C-N 121.815 -0.553 . . . . 0.0 109.547 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.27 146.6 13.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.02 0.528 . . . . 0.0 109.601 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.231 0.121 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.297 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -54.95 140.97 35.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.969 0.414 . . . . 0.0 111.544 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.99 63.01 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -82.38 -5.63 58.75 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 122.235 -0.291 . . . . 0.0 110.856 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.45 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.9 p -125.53 4.62 7.59 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.92 120.37 10.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -12.82 7.11 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.459 -0.634 . . . . 0.0 113.188 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -92.95 -29.16 16.02 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.336 1.068 . . . . 0.0 111.483 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.4 m-85 -106.35 127.95 53.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.73 141.14 26.45 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.41 154.46 38.78 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.072 0.549 . . . . 0.0 109.686 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.8 mt -131.03 172.35 12.19 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 124.054 0.941 . . . . 0.0 110.199 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.88 -177.47 52.02 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 122.899 0.285 . . . . 0.0 113.107 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.47 142.23 28.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.16 -41.8 81.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.02 0.528 . . . . 0.0 111.056 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -81.77 -6.23 58.87 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.487 0.315 . . . . 0.0 110.803 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -97.13 7.29 46.91 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.299 0.639 . . . . 0.0 111.35 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.65 32.89 21.87 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.469 0.708 . . . . 0.0 112.506 -176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.54 126.82 31.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.965 -0.459 . . . . 0.0 111.095 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.44 14.29 22.59 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.938 0.495 . . . . 0.0 111.065 174.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -53.0 150.23 5.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.363 0.665 . . . . 0.0 110.946 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.0 tp -135.88 150.12 49.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.671 -173.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.9 t -125.43 136.27 53.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.219 0.608 . . . . 0.0 109.58 172.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.78 137.52 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 171.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -126.64 147.54 49.9 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.9 t0 47.96 52.97 12.21 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.21 142.03 44.35 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -136.13 161.78 34.76 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.156 0.982 . . . . 0.0 109.341 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.8 -15.89 24.03 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.02 -4.01 59.0 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.189 0.449 . . . . 0.0 111.499 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -93.18 -17.52 23.62 Favored 'General case' 0 N--CA 1.46 0.073 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -68.43 134.37 50.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.083 0.553 . . . . 0.0 109.711 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.31 -149.19 20.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -125.29 151.94 45.33 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 122.831 0.452 . . . . 0.0 110.956 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -139.9 160.98 38.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.447 1.099 . . . . 0.0 111.219 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -143.77 155.56 44.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -102.57 160.63 14.4 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -140.85 150.39 43.2 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.244 0.474 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.61 133.27 53.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.436 1.094 . . . . 0.0 110.07 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -138.75 130.98 28.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 169.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -154.29 110.51 3.26 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.21 38.55 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -172.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -83.1 -6.84 59.64 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 tpp -68.4 137.11 54.28 Favored 'General case' 0 C--N 1.34 0.181 0 O-C-N 121.937 -0.477 . . . . 0.0 111.078 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -149.1 124.23 10.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.732 1.213 . . . . 0.0 109.333 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -162.2 130.71 4.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.162 0.437 . . . . 0.0 111.435 174.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.1 m -98.04 130.26 44.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -82.89 76.86 9.7 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.998 1.111 . . . . 0.0 113.998 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -148.93 164.52 34.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.972 0.909 . . . . 0.0 108.721 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.6 p -76.74 157.08 31.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.29 -163.52 1.53 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.196 1.398 . . . . 0.0 110.02 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.07 -48.97 6.26 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.177 1.391 . . . . 0.0 112.748 -177.299 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.36 -15.9 2.79 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -76.67 141.44 40.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.63 141.35 43.22 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.133 0.573 . . . . 0.0 110.938 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.3 t -155.5 164.21 38.99 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -78.65 156.76 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.628 0.771 . . . . 0.0 111.706 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.01 171.53 14.37 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.588 1.155 . . . . 0.0 111.069 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.89 121.88 44.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.514 0.726 . . . . 0.0 110.07 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 56.7 m -99.39 129.0 45.56 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 171.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -106.32 148.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 173.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.25 155.32 46.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -135.44 143.0 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.097 0 C-N-CA 123.002 0.521 . . . . 0.0 110.026 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -141.52 146.03 35.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.39 151.02 39.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 110.798 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.58 -21.93 66.63 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.469 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 172.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -57.88 132.73 54.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 172.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.43 10.41 85.65 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.676 -0.513 . . . . 0.0 112.853 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -57.65 133.11 55.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.629 1.215 . . . . 0.0 110.245 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.95 76.01 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-O 119.324 -0.709 . . . . 0.0 111.995 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -102.13 106.14 16.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.045 0.923 . . . . 0.0 110.365 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.43 159.94 41.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.47 0.653 . . . . 0.0 110.795 176.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -146.46 145.78 30.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.726 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.419 HE22 HD23 ' A' ' 12' ' ' LEU . 22.9 mp0 -126.63 126.51 43.71 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.365 0.666 . . . . 0.0 109.619 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.38 158.17 4.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 122.716 0.406 . . . . 0.0 111.453 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -55.34 128.71 35.44 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.675 0.79 . . . . 0.0 109.72 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.03 -27.73 60.18 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -174.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.7 tp -153.66 124.03 7.06 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.457 HG21 HG22 ' A' ' 29' ' ' VAL . 38.2 t -113.05 128.67 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.2 p -113.94 129.73 56.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 169.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.63 147.23 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.229 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.53 40.14 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -73.94 129.05 37.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.567 -0.708 . . . . 0.0 109.796 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.1 1.11 58.37 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.738 -1.035 . . . . 0.0 114.859 175.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.99 179.15 6.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.351 1.576 . . . . 0.0 111.267 177.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -102.67 169.37 8.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -155.13 153.97 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.287 1.035 . . . . 0.0 110.57 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -108.01 142.93 37.4 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.041 0.936 . . . . 0.0 109.741 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -132.26 112.71 14.39 Favored Pre-proline 0 N--CA 1.456 -0.127 0 C-N-CA 122.935 0.494 . . . . 0.0 110.677 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.13 136.53 20.26 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.701 2.267 . . . . 0.0 110.255 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.457 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 49.7 t -150.13 142.58 24.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.313 0.645 . . . . 0.0 110.362 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.1 m -143.23 154.65 44.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.743 0.817 . . . . 0.0 110.448 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -151.02 171.27 17.57 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.608 0.64 . . . . 0.0 112.004 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.3 t -148.81 155.28 40.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.77 161.6 28.71 Favored Pre-proline 0 C--O 1.235 0.321 0 C-N-CA 123.978 0.911 . . . . 0.0 113.456 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.22 151.76 57.46 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.39 2.727 . . . . 0.0 111.654 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -89.58 35.88 0.83 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 112.309 -176.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.97 157.73 41.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.28 3.25 84.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.253 0.454 . . . . 0.0 112.081 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -151.47 175.02 12.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.573 0.686 . . . . 0.0 111.054 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -144.61 163.12 34.86 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.66 -22.49 65.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.041 0.537 . . . . 0.0 112.27 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.3 m -76.59 -16.22 59.64 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.106 -0.371 . . . . 0.0 111.973 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -97.92 119.94 61.16 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 122.775 0.43 . . . . 0.0 111.39 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.22 153.22 45.79 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.688 2.259 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -75.22 152.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -136.17 130.96 34.01 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.599 171.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.41 157.01 15.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -151.34 147.96 27.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -117.59 147.92 42.39 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.041 0.536 . . . . 0.0 112.099 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.69 153.25 43.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 75.3 mtt-85 -79.81 140.83 36.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.387 0 O-C-N 122.098 -0.376 . . . . 0.0 110.738 -177.346 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.16 155.89 60.38 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.035 2.49 . . . . 0.0 109.569 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.26 -20.58 13.41 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 O-C-N 121.88 -0.512 . . . . 0.0 109.995 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.83 146.61 14.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.003 0.521 . . . . 0.0 109.762 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.333 -0.12 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 177.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.074 -0.013 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -55.67 141.41 38.0 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.6 0.238 . . . . 0.0 111.468 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.61 -23.84 62.63 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -86.36 -3.5 59.0 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.12 -0.362 . . . . 0.0 111.157 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.7 p -124.42 4.59 8.37 Favored 'General case' 0 CA--C 1.524 -0.046 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.2 120.82 11.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.94 -13.93 4.02 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 123.662 0.648 . . . . 0.0 113.075 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -90.72 -30.45 17.07 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 118.72 1.26 . . . . 0.0 111.219 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.1 m-85 -106.04 126.46 52.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 176.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.29 141.29 27.17 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 154.51 39.06 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.447 0.699 . . . . 0.0 109.48 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -131.67 171.68 13.18 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.93 0.892 . . . . 0.0 110.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.03 -178.5 53.79 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 121.035 0.242 . . . . 0.0 113.16 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -88.49 133.28 34.18 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.56 -39.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 111.262 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -82.72 -6.18 59.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.386 0.274 . . . . 0.0 110.702 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -97.35 8.64 44.19 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.197 0.599 . . . . 0.0 111.082 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.74 35.06 25.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.181 0.593 . . . . 0.0 112.438 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -79.02 129.01 33.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.457 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.71 14.06 17.45 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.046 0.538 . . . . 0.0 110.981 174.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -53.11 150.12 6.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.052 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.34 150.27 49.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.503 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.3 t -125.7 136.35 53.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.159 0.584 . . . . 0.0 109.783 172.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.56 136.97 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 96' ' ' ARG . 45.1 mtp180 -127.27 148.12 50.22 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.915 0.486 . . . . 0.0 109.728 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 t0 48.47 50.12 17.27 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 139.28 50.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.403 0.281 . . . . 0.0 111.695 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -137.46 166.33 24.11 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.882 0.873 . . . . 0.0 110.011 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -59.66 -15.88 22.46 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -81.81 -4.68 57.02 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.565 0.621 . . . . 0.0 111.631 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -94.76 -17.72 21.91 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 117.923 0.329 . . . . 0.0 110.242 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -69.75 135.17 49.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.75 -149.58 21.34 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.4 153.07 43.98 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.763 0.425 . . . . 0.0 110.957 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 74.5 m-85 -140.43 160.44 39.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.172 0.989 . . . . 0.0 111.23 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.27 155.93 44.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -102.18 158.18 16.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.424 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.8 ttt85 -137.92 149.42 46.19 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.008 0.367 . . . . 0.0 110.948 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.17 132.01 53.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.765 1.226 . . . . 0.0 110.614 -175.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -138.74 132.31 30.53 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -153.79 112.31 3.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.7 -122.85 30.84 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -84.74 -11.07 56.57 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.242 0.617 . . . . 0.0 111.845 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 tpp -65.32 135.75 55.72 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 122.013 -0.429 . . . . 0.0 111.267 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -146.69 123.55 11.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.857 1.263 . . . . 0.0 109.571 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -160.36 141.42 12.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 174.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.424 ' HB3' HH11 ' A' ' 109' ' ' ARG . 76.1 p -119.42 133.17 55.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -84.39 78.3 9.84 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -174.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -146.75 161.68 40.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -77.79 156.39 30.54 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -139.67 -164.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.348 1.459 . . . . 0.0 109.869 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -49.71 7.5 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.94 1.296 . . . . 0.0 112.939 -176.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.88 -14.5 3.12 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.71 138.96 38.52 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.17 141.3 42.19 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 123.009 0.524 . . . . 0.0 110.277 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 t -154.82 164.38 38.9 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.92 153.76 40.85 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.34 1.056 . . . . 0.0 111.56 -176.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -138.77 166.7 23.73 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.086 0.955 . . . . 0.0 110.779 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.29 121.84 46.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.502 0.721 . . . . 0.0 110.112 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.4 m -99.25 129.8 45.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.94 148.14 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.077 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 172.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.05 155.25 46.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -134.45 142.85 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 122.888 0.475 . . . . 0.0 110.225 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.8 t -141.75 146.62 36.21 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.162 0.585 . . . . 0.0 112.555 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.99 149.94 41.0 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.878 -0.514 . . . . 0.0 111.038 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.8 -25.21 67.14 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.013 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.0 OUTLIER . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 176.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -57.67 133.43 55.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.88 10.7 86.04 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.908 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.29 130.22 43.59 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.337 1.069 . . . . 0.0 112.479 175.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.21 80.33 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.718 -0.49 . . . . 0.0 111.941 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -102.04 107.3 18.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.864 0.832 . . . . 0.0 108.788 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -143.04 162.44 35.48 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 176.269 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -147.74 146.29 29.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.432 0.693 . . . . 0.0 109.464 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.443 HE22 HD23 ' A' ' 12' ' ' LEU . 22.4 mp0 -126.06 127.02 45.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' H ' ' HG2' ' A' ' 128' ' ' LYS . 8.6 p -152.41 157.25 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.537 0.335 . . . . 0.0 111.492 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -52.83 130.85 34.31 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.895 0.878 . . . . 0.0 110.375 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.77 -30.69 61.54 Favored 'General case' 0 N--CA 1.458 -0.06 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.9 tp -154.17 122.02 5.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.041 0.448 . . . . 0.0 109.979 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 HG22 ' A' ' 29' ' ' VAL . 42.6 t -109.58 128.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.1 p -114.8 128.78 56.49 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 169.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -133.7 147.15 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.221 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.66 155.63 40.28 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 110.601 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -73.8 127.59 33.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 121.445 -0.784 . . . . 0.0 109.618 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.56 1.43 58.99 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 118.871 -0.961 . . . . 0.0 115.077 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.56 -179.99 5.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.342 1.571 . . . . 0.0 111.515 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.6 p -103.55 168.94 8.83 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.29 155.0 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.396 1.078 . . . . 0.0 110.542 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.431 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.6 t60 -108.82 142.52 39.27 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 110.089 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.479 HG22 HG21 ' A' ' 19' ' ' VAL . 37.0 t -131.22 112.2 15.61 Favored Pre-proline 0 CA--C 1.528 0.102 0 C-N-CA 123.02 0.528 . . . . 0.0 110.668 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.49 135.98 18.87 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.729 2.286 . . . . 0.0 110.282 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -148.22 147.2 29.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.014 0.525 . . . . 0.0 110.334 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -147.28 155.81 42.38 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 123.25 0.62 . . . . 0.0 110.775 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -150.91 169.45 21.7 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.9 t -147.85 153.54 39.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.857 0.463 . . . . 0.0 111.111 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -154.44 160.36 31.0 Favored Pre-proline 0 N--CA 1.454 -0.265 0 C-N-CA 123.752 0.821 . . . . 0.0 113.105 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -59.35 154.23 48.45 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.164 2.576 . . . . 0.0 111.629 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.488 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -81.75 13.2 3.33 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 151.32 20.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.45 4.94 89.96 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.855 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.488 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.76 174.16 12.48 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.454 1.127 . . . . 0.0 111.258 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -145.04 163.26 34.78 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -59.05 -23.8 62.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -76.27 -16.21 59.84 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -96.76 120.14 62.41 Favored Pre-proline 0 C--O 1.232 0.16 0 C-N-CA 122.87 0.468 . . . . 0.0 111.289 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.63 152.28 37.71 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.954 2.436 . . . . 0.0 110.42 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -72.4 153.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -136.24 128.73 30.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.618 0.247 . . . . 0.0 110.573 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 156.51 16.52 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.599 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -149.96 146.47 27.05 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -118.27 145.95 44.66 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.947 0.499 . . . . 0.0 112.031 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -142.7 153.06 43.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 80.2 mtt-85 -79.28 141.99 36.55 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 O-C-N 122.161 -0.337 . . . . 0.0 110.908 -177.629 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.14 159.1 54.32 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.458 2.772 . . . . 0.0 109.883 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.8 m -79.36 -20.55 12.51 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.075 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.5 146.2 13.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.232 0.158 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 177.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 CA--C 1.527 0.087 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -56.78 142.37 40.89 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 121.059 0.457 . . . . 0.0 111.261 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.64 -23.94 62.62 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -85.36 -3.39 58.82 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.792 0.269 . . . . 0.0 111.199 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.429 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -126.34 5.31 6.99 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.74 119.73 9.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.19 -13.91 5.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.336 -0.702 . . . . 0.0 113.356 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -90.34 -29.62 17.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 118.404 1.102 . . . . 0.0 111.314 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.429 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.3 m-85 -105.49 127.97 53.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 175.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -147.06 142.07 27.03 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.85 154.47 39.46 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.431 0.692 . . . . 0.0 109.431 175.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -133.55 172.66 12.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.963 0.905 . . . . 0.0 110.136 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.47 -178.13 53.2 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 121.186 0.325 . . . . 0.0 113.114 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.45 132.67 33.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.48 -40.0 86.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.393 0.677 . . . . 0.0 111.151 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -82.21 -8.5 59.65 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.572 0.349 . . . . 0.0 110.798 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -95.49 8.59 42.84 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.437 0.695 . . . . 0.0 111.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 56.96 34.03 24.24 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.15 0.58 . . . . 0.0 112.316 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -78.14 126.77 31.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.074 -0.391 . . . . 0.0 111.417 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -111.52 14.56 21.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.2 0.6 . . . . 0.0 111.169 174.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -53.31 150.05 6.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.094 0.558 . . . . 0.0 111.117 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.2 tp -134.9 149.59 50.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.698 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 83' ' ' LEU . 23.5 t -125.4 135.66 52.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.262 0.625 . . . . 0.0 109.592 173.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.08 136.31 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -126.5 147.52 49.82 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.792 0.437 . . . . 0.0 109.839 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 47.61 53.37 11.27 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.92 141.84 43.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -137.24 164.16 29.18 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 124.477 1.111 . . . . 0.0 109.105 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.92 -15.66 33.5 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -173.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -82.31 -4.1 56.58 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.209 0.459 . . . . 0.0 111.793 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -93.71 -16.76 23.91 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -72.42 136.38 46.03 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.884 0.474 . . . . 0.0 109.816 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.36 -148.19 19.14 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.1 t -126.97 151.46 48.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.713 0.405 . . . . 0.0 110.887 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 73.8 m-85 -139.1 162.26 35.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.321 1.048 . . . . 0.0 110.776 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -144.56 157.77 44.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -104.22 160.08 15.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -139.84 148.0 41.51 Favored 'General case' 0 C--N 1.335 -0.026 0 CA-C-N 118.184 0.447 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.5 tp -121.08 134.39 55.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.45 1.1 . . . . 0.0 110.084 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.6 132.49 29.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 169.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -155.09 110.95 3.14 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -123.12 32.15 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -83.68 -11.92 56.58 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.05 0.54 . . . . 0.0 111.757 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.8 tpp -66.09 136.95 56.69 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 121.828 -0.545 . . . . 0.0 111.681 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -148.41 124.01 10.43 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.067 1.347 . . . . 0.0 109.331 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -160.79 127.58 4.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.354 0.525 . . . . 0.0 111.361 175.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -96.0 133.09 40.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.199 0.6 . . . . 0.0 109.456 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -84.25 78.57 9.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -146.69 158.09 43.83 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.453 1.101 . . . . 0.0 109.029 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.0 t -81.29 150.28 28.6 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.96 -163.18 1.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.223 1.409 . . . . 0.0 110.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -48.6 5.34 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 125.392 1.477 . . . . 0.0 113.187 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 -13.09 3.22 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -78.2 142.39 37.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -138.49 140.07 39.04 Favored 'General case' 0 C--N 1.337 0.057 0 C-N-CA 122.801 0.441 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 t -155.21 164.75 38.38 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 15' ' ' VAL . 16.1 tppt? -72.63 153.44 41.23 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -175.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.4 168.34 19.82 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.255 1.022 . . . . 0.0 110.986 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.9 tp -113.38 127.88 56.27 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.443 0.697 . . . . 0.0 109.847 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.1 m -103.89 133.36 49.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.13 148.34 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.21 45.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.97 142.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 C-N-CA 122.879 0.472 . . . . 0.0 110.189 -176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.42 146.31 36.39 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.71 149.36 39.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 122.22 -0.3 . . . . 0.0 110.885 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.44 -22.6 66.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 173.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.316 1.2 t . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 173.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 12.0 t80 -58.56 134.43 56.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 172.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.36 9.03 87.37 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.597 -0.557 . . . . 0.0 112.543 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -57.06 132.32 52.54 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.62 1.21 . . . . 0.0 112.26 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 -8.4 75.23 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 119.553 -0.582 . . . . 0.0 111.958 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.65 103.29 14.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 117.807 0.804 . . . . 0.0 110.777 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -140.69 160.59 39.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.503 0.668 . . . . 0.0 110.62 176.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -146.85 146.33 30.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.568 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.428 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -126.06 126.81 44.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.19 157.57 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.664 0.269 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -53.03 130.77 34.91 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.711 0.804 . . . . 0.0 110.159 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.06 -29.4 60.72 Favored 'General case' 0 C--O 1.23 0.07 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -155.5 121.75 5.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.996 0.427 . . . . 0.0 110.24 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.482 HG21 HG22 ' A' ' 29' ' ' VAL . 45.1 t -109.24 121.83 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 p -106.02 127.26 53.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.37 144.85 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.04 155.87 39.84 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 110.768 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -72.17 128.22 34.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.668 -0.645 . . . . 0.0 110.032 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.4 1.99 60.5 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 118.81 -0.995 . . . . 0.0 114.78 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.06 179.22 6.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.387 1.593 . . . . 0.0 111.69 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -103.62 168.29 9.24 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -175.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -155.0 148.92 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.211 1.004 . . . . 0.0 111.044 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.44 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.7 t60 -102.2 142.57 33.23 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.705 0.802 . . . . 0.0 110.047 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 HG21 ' A' ' 19' ' ' VAL . 41.2 t -131.2 111.47 15.49 Favored Pre-proline 0 N--CA 1.455 -0.176 0 C-N-CA 122.993 0.517 . . . . 0.0 110.683 177.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.75 135.71 19.95 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.874 2.382 . . . . 0.0 110.1 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.0 t -148.61 147.01 28.49 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.774 0.43 . . . . 0.0 110.363 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.5 t -148.18 155.63 41.62 Favored 'General case' 0 C--N 1.335 -0.042 0 C-N-CA 122.788 0.435 . . . . 0.0 110.268 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -150.86 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.274 0.559 . . . . 0.0 112.492 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -148.19 154.58 40.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.45 159.96 31.92 Favored Pre-proline 0 N--CA 1.455 -0.222 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.96 152.05 53.45 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.177 2.585 . . . . 0.0 111.973 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -89.83 36.11 0.85 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 123.585 0.754 . . . . 0.0 112.494 -176.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.65 155.61 45.57 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.84 4.4 82.38 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.654 -0.526 . . . . 0.0 112.244 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -152.07 174.98 13.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 117.732 0.766 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -143.18 162.62 35.11 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -61.41 -21.36 64.03 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -76.18 -23.38 54.69 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.513 0.325 . . . . 0.0 111.358 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -89.56 121.15 69.45 Favored Pre-proline 0 N--CA 1.454 -0.228 0 CA-C-O 119.066 -0.492 . . . . 0.0 111.42 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.95 153.54 42.1 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.726 2.284 . . . . 0.0 110.505 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.39 151.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -136.15 129.83 32.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.159 0.504 . . . . 0.0 110.474 172.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.38 157.79 15.72 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -151.8 148.28 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -118.1 148.06 42.67 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -145.69 155.95 43.32 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.365 0.666 . . . . 0.0 111.773 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.2 mtm180 -86.62 145.76 26.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -177.569 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -70.91 155.18 62.59 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.133 2.555 . . . . 0.0 110.041 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 m -77.62 -20.57 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.06 148.08 13.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.669 0.387 . . . . 0.0 109.994 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--O 1.232 0.149 0 C-N-CA 122.35 0.26 . . . . 0.0 111.46 178.694 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.457 -0.076 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.68 139.01 40.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -20.9 63.2 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.324 0.25 . . . . 0.0 111.436 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -89.03 -2.12 58.42 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.694 0.398 . . . . 0.0 111.295 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.0 p -126.27 5.15 7.04 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.49 120.74 11.69 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -175.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.35 -14.44 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.441 -0.644 . . . . 0.0 112.898 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -88.75 -31.28 18.49 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.519 1.159 . . . . 0.0 110.85 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.6 m-85 -107.46 126.58 52.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 176.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -146.71 141.92 27.29 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.19 154.45 39.05 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.369 0.668 . . . . 0.0 109.78 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -131.33 172.24 12.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.002 0.921 . . . . 0.0 110.188 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.79 -179.23 52.76 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 121.066 0.259 . . . . 0.0 112.903 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.39 132.9 33.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.97 -39.81 85.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.544 0.738 . . . . 0.0 111.072 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -82.52 -7.3 59.64 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.469 0.308 . . . . 0.0 110.91 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -96.88 8.92 43.32 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.251 0.62 . . . . 0.0 111.108 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 56.86 34.14 24.29 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.271 0.629 . . . . 0.0 112.209 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.2 128.01 32.76 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.089 -0.382 . . . . 0.0 111.808 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.474 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -113.95 14.59 18.5 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 123.283 0.633 . . . . 0.0 111.153 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.7 m -52.96 150.26 5.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.926 0.49 . . . . 0.0 110.941 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.7 tp -135.65 149.05 49.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.636 -174.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.476 ' HB2' HD11 ' A' ' 83' ' ' LEU . 20.6 t -124.05 134.29 53.45 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.33 0.652 . . . . 0.0 109.698 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.7 136.69 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.12 149.01 50.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.37 53.18 12.35 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 143.79 37.12 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -138.12 161.7 36.1 Favored 'General case' 0 CA--C 1.523 -0.079 0 C-N-CA 124.25 1.02 . . . . 0.0 109.447 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.69 -15.3 27.46 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -85.19 -2.42 58.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.971 0.509 . . . . 0.0 111.591 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -95.83 -18.5 20.33 Favored 'General case' 0 C--N 1.338 0.095 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.63 136.68 54.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.997 0.519 . . . . 0.0 109.868 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.36 -150.53 22.37 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.3 t -123.08 152.82 40.68 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.035 0.534 . . . . 0.0 110.601 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.533 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 59.0 m-85 -137.2 157.91 45.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.669 1.188 . . . . 0.0 112.608 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -144.03 153.39 42.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -101.58 157.43 16.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -136.29 149.79 48.61 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 122.644 0.378 . . . . 0.0 111.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tp -127.4 131.78 50.24 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.514 1.125 . . . . 0.0 110.178 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.34 131.35 27.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -154.11 112.19 3.54 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.22 -125.22 38.38 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.1 t -83.17 -11.28 58.04 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.875 0.47 . . . . 0.0 111.809 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.6 tpp -64.66 135.48 55.96 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 121.748 -0.595 . . . . 0.0 111.434 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -145.62 124.63 12.79 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.714 1.206 . . . . 0.0 109.251 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -161.82 150.47 15.44 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.9 p -133.81 136.26 44.35 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.12 78.34 9.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -170.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -148.05 154.36 40.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -65.11 156.15 32.55 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.19 -165.14 1.95 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.267 1.427 . . . . 0.0 109.474 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.455 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.72 -48.82 20.26 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.047 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.66 -13.57 3.3 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.75 0.42 . . . . 0.0 111.937 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -75.49 142.68 42.84 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -139.23 138.23 36.65 Favored 'General case' 0 CA--C 1.524 -0.051 0 C-N-CA 123.188 0.595 . . . . 0.0 110.25 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 t -154.56 166.12 34.33 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.7 153.2 43.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.872 1.269 . . . . 0.0 112.037 -174.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -139.08 168.46 19.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.226 1.011 . . . . 0.0 110.626 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 19.3 tp -114.89 123.77 50.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.494 0.718 . . . . 0.0 109.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 73.8 m -99.48 131.98 45.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 170.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.46 148.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.66 155.07 46.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.23 143.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.627 0.371 . . . . 0.0 110.179 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -142.18 145.77 34.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.2 0.6 . . . . 0.0 112.475 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.19 149.61 40.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.018 -0.426 . . . . 0.0 111.0 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.43 -33.74 76.58 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.865 0.466 . . . . 0.0 110.19 176.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.323 0.8 OUTLIER . . . . . 0 CA--C 1.533 0.29 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 176.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.24 133.75 52.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.46 11.63 85.3 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 119.7 -0.5 . . . . 0.0 113.062 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -54.89 130.5 41.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.513 1.157 . . . . 0.0 112.64 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.75 -7.68 81.36 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.36 -0.689 . . . . 0.0 112.088 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -101.42 104.28 15.22 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.029 0.915 . . . . 0.0 110.219 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.86 162.93 34.25 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.307 0.575 . . . . 0.0 110.665 176.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.46 146.55 28.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.697 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.419 HE22 HD23 ' A' ' 12' ' ' LEU . 22.2 mp0 -129.3 131.66 47.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -152.91 159.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 110.321 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.63 128.42 32.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -76.09 -26.61 56.63 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -155.3 122.36 5.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.855 0.462 . . . . 0.0 109.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.527 HG21 HG22 ' A' ' 29' ' ' VAL . 42.7 t -110.12 124.85 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -109.08 128.76 55.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.87 146.1 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.34 156.37 39.16 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.179 0.514 . . . . 0.0 110.851 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -73.48 128.54 35.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.721 -0.612 . . . . 0.0 110.019 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.01 2.29 60.99 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.723 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.16 178.35 6.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.487 1.644 . . . . 0.0 111.508 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -101.66 168.91 9.17 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -154.41 154.07 7.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.281 1.032 . . . . 0.0 110.698 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.432 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.9 t60 -107.34 141.95 37.9 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.638 0.775 . . . . 0.0 109.695 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG22 HG21 ' A' ' 19' ' ' VAL . 36.9 t -130.42 111.51 16.54 Favored Pre-proline 0 N--CA 1.455 -0.211 0 C-N-CA 123.12 0.568 . . . . 0.0 110.726 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.1 135.81 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.771 2.314 . . . . 0.0 110.305 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.8 t -148.64 147.94 29.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.747 0.419 . . . . 0.0 110.352 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -147.88 155.54 41.72 Favored 'General case' 0 C--O 1.23 0.04 0 C-N-CA 123.486 0.714 . . . . 0.0 110.365 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -150.68 169.72 20.94 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 t -146.82 152.81 39.36 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 122.78 0.432 . . . . 0.0 110.756 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -153.63 159.98 31.47 Favored Pre-proline 0 C--O 1.232 0.162 0 C-N-CA 124.018 0.927 . . . . 0.0 113.303 -175.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.33 153.38 53.97 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.349 2.699 . . . . 0.0 111.522 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -82.83 14.35 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -92.65 149.62 21.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.47 5.28 87.09 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.157 -0.802 . . . . 0.0 113.061 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.499 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -149.07 173.77 13.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.652 1.226 . . . . 0.0 111.197 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -143.63 162.28 36.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.16 -22.85 61.59 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -75.21 -22.31 58.03 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 122.212 -0.305 . . . . 0.0 111.581 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -89.66 120.94 69.52 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 122.831 0.452 . . . . 0.0 111.729 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 153.55 39.71 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.089 2.526 . . . . 0.0 110.171 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.12 153.26 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -135.94 127.77 29.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.88 157.44 17.31 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -151.08 148.35 28.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -122.12 148.55 44.76 Favored 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 122.978 0.511 . . . . 0.0 111.831 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -145.57 154.39 42.11 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.063 0.545 . . . . 0.0 110.746 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -75.78 147.53 39.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.18 156.78 55.01 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.237 2.625 . . . . 0.0 109.83 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -77.25 -22.79 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 O-C-N 121.843 -0.536 . . . . 0.0 109.579 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.95 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.144 0.578 . . . . 0.0 109.545 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.881 0.372 . . . . 0.0 111.729 179.478 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.232 0.139 0 N-CA-C 111.513 0.19 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -53.74 141.18 27.45 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.496 0.318 . . . . 0.0 111.276 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.66 -25.92 63.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -82.34 -5.06 58.35 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.923 0.329 . . . . 0.0 110.878 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.437 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -124.59 4.57 8.25 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 178.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.96 121.04 11.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -8.32 20.17 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.24 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -99.16 -29.3 12.93 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.345 1.073 . . . . 0.0 111.645 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.437 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.0 m-85 -104.52 127.74 52.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.38 139.21 25.46 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.6 154.42 38.56 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.074 0.549 . . . . 0.0 109.794 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.8 mt -131.51 173.17 11.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.248 1.019 . . . . 0.0 110.076 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.66 -179.03 52.77 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 121.212 0.34 . . . . 0.0 113.143 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.77 131.77 34.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.38 -38.7 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.447 0.699 . . . . 0.0 111.042 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.48 -5.49 59.18 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.66 0.384 . . . . 0.0 110.999 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -100.43 10.53 41.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.352 0.661 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 57.11 33.44 23.33 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.303 0.641 . . . . 0.0 112.473 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -78.55 128.31 33.36 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.587 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -112.81 15.1 19.94 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.152 0.581 . . . . 0.0 111.084 174.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.7 m -53.44 150.44 6.59 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.011 0.524 . . . . 0.0 111.063 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -135.82 150.52 49.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.382 -174.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.525 ' HB2' HD11 ' A' ' 83' ' ' LEU . 27.0 t -127.08 133.74 50.38 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.978 0.511 . . . . 0.0 109.763 172.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -103.64 137.99 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -126.99 146.38 50.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.079 0.552 . . . . 0.0 109.88 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 48.52 53.26 12.38 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 141.71 45.03 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -137.68 163.84 30.3 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.161 0.984 . . . . 0.0 109.567 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.2 -16.35 32.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -171.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.29 -7.08 59.62 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.224 0.466 . . . . 0.0 111.48 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -90.55 -18.74 24.72 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.97 134.76 49.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.936 0.494 . . . . 0.0 109.821 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.45 -147.51 17.49 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.1 t -127.51 152.48 47.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.983 0.513 . . . . 0.0 110.642 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -139.79 161.03 38.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.455 1.102 . . . . 0.0 111.479 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -144.1 155.64 44.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -102.87 160.61 14.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -140.78 150.41 43.31 Favored 'General case' 0 C--N 1.335 -0.053 0 O-C-N 121.952 -0.468 . . . . 0.0 110.512 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -124.01 134.84 53.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.438 1.095 . . . . 0.0 110.255 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -139.97 131.97 27.82 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -153.92 111.65 3.51 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.47 -124.43 35.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -82.56 -11.42 58.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.172 0.589 . . . . 0.0 111.88 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.9 tpp -65.64 137.01 57.05 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 121.809 -0.557 . . . . 0.0 111.519 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.12 124.75 11.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.612 1.165 . . . . 0.0 109.503 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.2 t-105 -160.98 127.62 4.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 118.276 0.489 . . . . 0.0 111.182 175.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 m -96.16 130.09 43.29 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 123.102 0.561 . . . . 0.0 109.54 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -82.17 77.46 8.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -146.42 162.68 37.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.4 p -77.88 156.61 30.25 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.64 -164.21 1.69 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.247 1.419 . . . . 0.0 110.111 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -49.43 7.58 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 125.492 1.517 . . . . 0.0 113.007 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -15.26 3.1 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -79.04 137.52 37.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -135.21 141.45 45.82 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 122.916 0.486 . . . . 0.0 110.413 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 t -153.2 162.04 41.75 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.6 155.63 33.39 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.554 0.742 . . . . 0.0 111.769 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -136.2 171.31 14.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 124.528 1.131 . . . . 0.0 110.938 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.61 123.25 49.49 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.753 0.821 . . . . 0.0 109.993 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 m -100.23 131.38 46.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 170.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.43 148.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.51 154.96 47.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.39 142.84 40.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 122.982 0.513 . . . . 0.0 110.446 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -142.67 145.29 33.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.267 0.627 . . . . 0.0 112.687 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.65 41.56 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.904 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.83 -19.28 65.83 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.127 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.33 1.1 t . . . . . 0 CA--C 1.532 0.288 0 N-CA-C 117.108 2.262 . . . . 0.0 117.108 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.67 132.89 54.6 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.14 12.22 84.82 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.833 -0.426 . . . . 0.0 113.189 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -55.85 129.62 40.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.436 1.118 . . . . 0.0 112.573 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.07 -6.52 83.56 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.51 -0.605 . . . . 0.0 111.873 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -101.9 104.01 14.7 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.693 0.746 . . . . 0.0 110.388 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.448 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.01 162.58 35.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.152 0.501 . . . . 0.0 110.832 176.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -147.7 146.81 29.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.11 -174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.448 HE22 HD23 ' A' ' 12' ' ' LEU . 21.7 mp0 -129.66 131.02 46.28 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.14 0.576 . . . . 0.0 109.552 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -152.74 160.23 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 122.943 0.497 . . . . 0.0 110.642 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.51 128.53 32.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -76.58 -27.55 55.86 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.43 122.35 5.92 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.854 0.461 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.493 HG21 HG22 ' A' ' 29' ' ' VAL . 42.9 t -110.1 124.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -109.0 127.98 54.55 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 173.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.05 146.02 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.63 156.78 38.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.977 0.418 . . . . 0.0 110.843 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -73.32 128.16 34.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.821 -0.549 . . . . 0.0 109.903 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 1.75 59.91 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.618 -1.101 . . . . 0.0 114.56 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 179.6 5.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.448 1.624 . . . . 0.0 111.425 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.9 p -103.3 169.51 8.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -175.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -156.22 149.08 11.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.178 0.991 . . . . 0.0 110.64 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -101.72 144.22 30.68 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.712 0.805 . . . . 0.0 109.583 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 19' ' ' VAL . 40.7 t -132.3 111.79 14.15 Favored Pre-proline 0 C--N 1.334 -0.069 0 C-N-CA 123.276 0.63 . . . . 0.0 110.897 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.57 136.21 18.99 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.905 2.403 . . . . 0.0 110.182 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.9 t -148.61 147.75 29.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.092 0.557 . . . . 0.0 110.329 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -148.02 155.53 41.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.313 0.645 . . . . 0.0 110.34 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -150.81 168.45 24.4 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 t -145.55 152.99 40.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.104 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -153.0 158.45 32.88 Favored Pre-proline 0 CA--C 1.529 0.152 0 C-N-CA 124.605 1.162 . . . . 0.0 112.856 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -62.82 153.32 73.51 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.773 2.315 . . . . 0.0 110.548 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -80.24 13.95 2.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -91.14 149.6 21.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.38 4.76 87.7 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.231 -0.76 . . . . 0.0 113.456 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -148.85 174.61 12.04 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.594 1.197 . . . . 0.0 111.22 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -144.8 162.35 36.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.89 -22.31 62.2 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.4 t -75.51 -19.23 59.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.134 -0.354 . . . . 0.0 111.523 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -94.39 121.81 62.64 Favored Pre-proline 0 N--CA 1.455 -0.188 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.99 153.77 37.42 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.935 2.423 . . . . 0.0 110.478 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.76 151.97 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -136.26 122.87 20.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.003 -0.435 . . . . 0.0 110.081 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.66 159.72 18.3 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.75 149.06 28.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -122.19 147.7 45.85 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -145.18 153.77 41.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.058 0.543 . . . . 0.0 110.964 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -75.67 146.99 39.79 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.341 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.392 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -71.08 158.86 54.0 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.23 2.62 . . . . 0.0 109.578 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -79.33 -21.88 12.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 O-C-N 121.894 -0.504 . . . . 0.0 109.715 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.06 146.72 14.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.946 0.498 . . . . 0.0 109.72 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.331 -0.198 0 O-C-N 123.19 0.306 . . . . 0.0 111.722 178.845 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 CA--C 1.527 0.064 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -55.09 140.9 36.57 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 111.39 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -24.85 63.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.673 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -82.67 -5.93 59.11 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.765 0.257 . . . . 0.0 111.033 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.444 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -125.25 5.83 7.78 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.95 119.87 9.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.06 -14.41 4.82 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 123.663 0.649 . . . . 0.0 113.526 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -89.58 -30.02 18.47 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.4 1.1 . . . . 0.0 111.273 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.7 m-85 -103.34 127.64 50.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -138.61 135.71 35.22 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 154.0 39.03 Favored 'General case' 0 C--N 1.335 -0.065 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -136.5 174.0 11.1 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.44 0.696 . . . . 0.0 110.337 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.04 -177.95 52.86 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 122.965 0.317 . . . . 0.0 112.411 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -87.01 130.96 34.23 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.33 -38.64 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.394 0.677 . . . . 0.0 110.776 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -83.51 -4.22 58.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.475 0.31 . . . . 0.0 111.004 -175.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -101.14 10.4 40.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 56.25 34.47 24.07 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.486 0.714 . . . . 0.0 112.312 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.67 127.85 32.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 174.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.1 p -113.03 15.07 19.7 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.019 0.528 . . . . 0.0 110.987 175.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -52.64 150.24 5.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.041 0.537 . . . . 0.0 111.354 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.2 tp -135.23 151.64 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.296 0.639 . . . . 0.0 110.342 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 83' ' ' LEU . 11.9 t -126.83 138.88 53.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.459 0.704 . . . . 0.0 109.548 172.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -111.54 135.9 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -126.36 147.5 49.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.714 0.406 . . . . 0.0 110.02 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.8 t0 47.76 53.12 11.78 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.91 142.68 40.5 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -136.82 163.0 31.66 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.299 1.04 . . . . 0.0 109.294 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.39 -15.06 22.47 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.99 -6.08 59.35 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.239 0.472 . . . . 0.0 111.774 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -91.68 -17.71 25.06 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -70.21 135.31 48.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.777 0.431 . . . . 0.0 109.95 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.21 -148.18 19.13 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.7 t -126.09 152.84 45.33 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.875 0.47 . . . . 0.0 110.679 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -140.73 161.39 37.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.098 0.959 . . . . 0.0 111.135 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -144.26 155.31 43.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -101.76 159.17 15.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -142.32 152.25 42.76 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.119 0.418 . . . . 0.0 110.822 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -128.58 137.17 51.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.76 0.824 . . . . 0.0 111.27 -171.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -139.79 136.2 33.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.877 0.871 . . . . 0.0 109.122 168.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.36 110.38 3.0 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -123.71 34.17 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -82.46 -11.0 58.8 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.011 0.524 . . . . 0.0 112.074 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -65.67 136.52 56.4 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.26 0.482 . . . . 0.0 111.486 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.94 123.41 10.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.894 1.278 . . . . 0.0 109.117 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -159.88 132.2 6.44 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 118.319 0.509 . . . . 0.0 110.994 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.6 m -100.65 128.48 46.68 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -82.22 78.23 8.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -147.05 152.26 38.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.214 0.606 . . . . 0.0 110.139 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.8 p -71.19 151.59 44.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -144.71 -158.44 0.89 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.206 0.603 . . . . 0.0 109.651 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.39 -50.54 16.46 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.192 0.997 . . . . 0.0 112.694 -174.014 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.26 -18.41 2.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -75.15 141.07 43.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -138.28 141.45 39.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.765 0.426 . . . . 0.0 110.043 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.5 t -155.1 162.78 40.92 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -76.29 157.49 32.47 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.476 0.71 . . . . 0.0 112.006 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -136.6 171.15 14.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.352 1.061 . . . . 0.0 111.14 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -113.83 124.53 52.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.75 0.82 . . . . 0.0 109.627 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.5 m -101.74 131.29 48.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.6 t -108.91 148.12 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.26 154.39 46.84 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.464 -1.309 . . . . 0.0 107.464 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -133.31 142.39 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 122.921 0.488 . . . . 0.0 110.297 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.92 146.46 35.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.87 150.54 39.16 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 111.233 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.614 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.22 65.75 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER . . . . . 0 CA--C 1.53 0.204 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 171.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -57.84 134.13 56.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.68 8.52 86.27 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.905 -0.386 . . . . 0.0 113.091 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -57.82 132.48 53.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.325 1.062 . . . . 0.0 110.927 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.32 -9.42 77.53 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-O 119.511 -0.605 . . . . 0.0 112.06 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.11 105.54 16.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.692 0.746 . . . . 0.0 110.179 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.89 161.27 38.39 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.411 0.625 . . . . 0.0 110.552 176.476 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -146.12 147.03 31.12 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.368 0.667 . . . . 0.0 109.91 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.423 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.24 129.36 43.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.136 0.574 . . . . 0.0 109.747 176.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.75 160.04 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 122.991 0.517 . . . . 0.0 110.129 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -56.42 128.05 34.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -76.6 -26.0 54.53 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -153.96 122.99 6.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 109.937 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.503 HG21 HG22 ' A' ' 29' ' ' VAL . 41.0 t -112.53 127.76 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.74 128.98 56.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 169.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.4 p -133.85 146.93 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.428 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.04 155.76 39.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 110.372 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -73.12 127.28 32.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.62 1.51 57.64 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.647 -1.085 . . . . 0.0 114.903 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.43 179.55 6.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.418 1.609 . . . . 0.0 111.454 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -102.58 167.45 9.91 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.34 148.94 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 123.972 0.909 . . . . 0.0 110.664 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -101.85 142.9 32.45 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.612 0.765 . . . . 0.0 109.762 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.503 HG22 HG21 ' A' ' 19' ' ' VAL . 47.5 t -131.31 111.78 15.42 Favored Pre-proline 0 C--N 1.338 0.092 0 C-N-CA 122.945 0.498 . . . . 0.0 110.731 177.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.21 135.82 19.18 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.034 2.489 . . . . 0.0 109.961 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -148.39 147.26 29.01 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.973 0.509 . . . . 0.0 109.918 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.8 t -148.19 155.85 41.88 Favored 'General case' 0 N--CA 1.46 0.043 0 C-N-CA 123.683 0.793 . . . . 0.0 110.244 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -151.5 170.15 20.32 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 t -147.77 153.98 39.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.926 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -152.63 160.6 30.93 Favored Pre-proline 0 CA--C 1.53 0.182 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -174.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.61 151.77 52.66 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.409 2.74 . . . . 0.0 111.751 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.24 36.07 0.87 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.141 0.576 . . . . 0.0 112.448 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -130.75 157.04 43.9 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.82 4.51 82.32 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.119 0.39 . . . . 0.0 112.157 -177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.422 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.7 p-90 -152.82 175.06 13.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.729 0.764 . . . . 0.0 110.686 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -144.44 162.96 35.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.74 -23.08 64.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -76.54 -15.2 59.93 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 122.084 -0.385 . . . . 0.0 111.788 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -98.47 119.64 61.08 Favored Pre-proline 0 N--CA 1.454 -0.273 0 CA-C-O 119.286 -0.387 . . . . 0.0 111.701 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.39 152.92 44.66 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.958 2.439 . . . . 0.0 110.48 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.16 152.35 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -135.63 129.05 32.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 173.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.21 156.43 16.33 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.574 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -150.27 146.63 26.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.89 145.96 44.26 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 173.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -141.77 153.28 44.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -80.15 142.0 35.19 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.196 0 O-C-N 121.915 -0.49 . . . . 0.0 110.922 -177.827 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.69 158.24 57.73 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.477 2.785 . . . . 0.0 110.21 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.5 m -79.22 -20.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.36 145.38 13.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.862 0.465 . . . . 0.0 109.854 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 120.796 0.332 . . . . 0.0 111.869 177.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.234 0.248 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -56.33 142.28 38.53 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 122.787 0.435 . . . . 0.0 111.413 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.17 62.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.662 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.33 -8.46 59.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.909 0.322 . . . . 0.0 110.928 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.44 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.1 p -122.53 5.75 9.55 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.51 119.77 9.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -175.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.27 -14.1 5.4 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.877 0.751 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.4 mtm105 -90.05 -29.31 18.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 118.615 1.207 . . . . 0.0 111.367 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.44 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.52 127.79 53.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -147.1 142.41 27.36 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.96 154.06 39.49 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.578 0.751 . . . . 0.0 109.643 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -132.74 171.81 13.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.122 0.969 . . . . 0.0 110.445 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -178.33 53.75 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 121.37 0.428 . . . . 0.0 112.751 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -88.82 132.79 34.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.57 -39.32 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 110.993 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.97 -4.14 57.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.709 0.404 . . . . 0.0 110.87 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.0 t -102.17 10.8 39.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.305 0.642 . . . . 0.0 111.185 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 56.38 33.84 23.11 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.218 0.607 . . . . 0.0 112.431 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -78.74 128.92 34.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.709 175.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -113.9 14.84 18.61 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.17 0.588 . . . . 0.0 110.921 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -53.2 150.22 6.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.306 0.642 . . . . 0.0 111.027 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp -135.14 150.27 50.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.47 ' HB2' HD11 ' A' ' 83' ' ' LEU . 17.0 t -125.62 134.49 51.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.949 0.5 . . . . 0.0 109.693 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.14 136.95 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 172.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -128.15 148.49 50.6 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.8 t0 48.55 53.31 12.33 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.82 143.71 36.03 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -138.94 162.78 34.01 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 124.311 1.044 . . . . 0.0 109.298 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.88 -15.71 33.66 Favored 'General case' 0 C--N 1.334 -0.079 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -173.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -83.39 -4.82 58.84 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.228 0.467 . . . . 0.0 111.911 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -91.83 -19.26 22.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.393 0.542 . . . . 0.0 109.585 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -67.36 137.03 55.68 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.27 -151.08 23.19 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -124.57 153.13 42.61 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.101 0.451 . . . . 0.0 110.955 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -140.51 161.03 38.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.253 1.021 . . . . 0.0 111.692 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -144.66 157.41 44.21 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -105.06 156.02 18.45 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -132.01 144.05 50.51 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 121.222 0.534 . . . . 0.0 111.223 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -119.06 130.11 55.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.779 1.232 . . . . 0.0 109.57 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -139.41 130.72 26.8 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 169.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.81 112.7 3.7 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.15 -124.77 36.9 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -173.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.5 m -83.98 -7.19 59.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.6 tpp -68.53 137.07 54.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.377 0.535 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -146.71 126.41 13.41 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 124.811 1.244 . . . . 0.0 109.828 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -161.62 155.2 21.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.8 p -138.46 132.87 31.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 123.29 0.636 . . . . 0.0 109.325 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -83.08 78.33 9.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -145.05 163.13 35.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p -75.3 157.69 33.98 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.36 -164.37 1.7 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.286 1.435 . . . . 0.0 109.684 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.99 -48.58 8.73 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.685 1.194 . . . . 0.0 113.064 -176.39 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.93 -15.83 2.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -76.43 139.93 41.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -135.71 141.39 44.91 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.41 0.684 . . . . 0.0 110.439 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -155.43 163.86 39.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -80.22 155.85 27.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.859 0.864 . . . . 0.0 111.583 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -137.18 173.7 11.4 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.43 1.092 . . . . 0.0 111.333 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.15 124.63 51.97 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.009 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m -102.63 131.62 49.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.3 148.42 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.0 155.38 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -176.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.07 142.87 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.201 0.6 . . . . 0.0 110.281 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.5 t -141.18 146.9 37.54 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.322 0.649 . . . . 0.0 112.397 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.81 150.31 37.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 121.864 -0.523 . . . . 0.0 111.058 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.88 -23.6 67.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.71 0.404 . . . . 0.0 109.93 173.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 172.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.27 133.08 54.79 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.8 84.27 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.916 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.85 129.92 39.15 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.419 1.109 . . . . 0.0 112.723 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.78 -8.46 79.79 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.038 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -100.43 104.91 16.34 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 117.713 0.756 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.94 161.1 38.82 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.184 0.516 . . . . 0.0 110.574 176.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -146.9 147.12 30.46 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -130.79 130.09 43.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.407 0.683 . . . . 0.0 109.78 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -152.55 160.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.064 0.545 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.24 127.09 27.7 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.73 -27.2 60.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.81 123.02 6.51 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.098 0.475 . . . . 0.0 109.875 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.517 HG21 HG22 ' A' ' 29' ' ' VAL . 42.1 t -111.13 128.49 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.279 1.3 p -114.79 128.78 56.49 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 169.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -133.71 146.77 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 123.271 0.629 . . . . 0.0 110.175 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.58 155.77 40.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.707 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -72.85 128.25 34.95 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.712 -0.618 . . . . 0.0 109.991 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.93 1.92 59.66 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.49 -1.172 . . . . 0.0 114.607 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.7 178.23 7.01 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.687 1.743 . . . . 0.0 111.278 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -100.99 169.14 9.16 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -155.05 155.4 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.51 1.124 . . . . 0.0 110.768 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.453 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.7 t60 -108.92 143.01 38.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.811 0.844 . . . . 0.0 110.059 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 19' ' ' VAL . 40.5 t -131.3 111.62 15.4 Favored Pre-proline 0 CA--C 1.527 0.084 0 C-N-CA 123.188 0.595 . . . . 0.0 110.97 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -74.82 135.72 19.81 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.709 2.273 . . . . 0.0 110.341 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.6 t -148.98 145.37 27.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.74 0.416 . . . . 0.0 110.413 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.8 m -145.26 153.47 41.34 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.157 0.983 . . . . 0.0 110.434 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -150.85 170.78 18.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.073 0.397 . . . . 0.0 111.934 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -148.7 154.86 40.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 111.151 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -152.82 160.94 30.39 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.904 0.882 . . . . 0.0 113.342 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.41 150.52 67.32 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.558 2.838 . . . . 0.0 112.034 176.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -87.99 36.12 0.76 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.612 . . . . 0.0 112.636 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.66 157.0 43.33 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.4 3.21 81.86 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.052 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.4 p-90 -150.25 175.75 11.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.954 0.877 . . . . 0.0 111.381 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.57 160.29 40.58 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -63.99 -19.86 65.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.337 0.655 . . . . 0.0 110.514 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.1 p -78.28 -16.13 58.08 Favored 'General case' 0 CA--C 1.528 0.101 0 O-C-N 122.314 -0.241 . . . . 0.0 111.488 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.33 120.54 60.78 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.338 0.655 . . . . 0.0 112.384 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.82 153.38 48.05 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.86 2.373 . . . . 0.0 110.527 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.0 152.69 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -136.42 131.22 33.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.494 172.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.0 156.98 15.59 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -150.23 147.81 28.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -118.06 147.26 43.42 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 122.902 0.481 . . . . 0.0 112.263 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -143.17 151.93 41.2 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 69.6 mtt-85 -79.42 141.46 36.81 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.24 0 O-C-N 122.229 -0.295 . . . . 0.0 110.947 -177.793 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -72.77 157.95 51.1 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.206 2.604 . . . . 0.0 109.44 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.79 -21.48 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 O-C-N 121.908 -0.495 . . . . 0.0 109.996 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.2 146.22 13.83 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.461 0.104 0 C-N-CA 122.603 0.361 . . . . 0.0 111.755 178.126 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 120.147 0.023 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -55.01 141.4 34.19 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.621 0.248 . . . . 0.0 111.496 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.45 62.57 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -85.46 -3.54 58.88 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.324 0.249 . . . . 0.0 111.235 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.2 p -127.75 6.18 6.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.3 120.08 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.27 -13.75 4.48 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.262 -0.743 . . . . 0.0 113.333 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -89.92 -29.42 18.54 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.52 1.16 . . . . 0.0 111.241 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.7 m-85 -106.27 127.32 53.16 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.09 142.15 28.25 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.98 154.39 39.33 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.201 0.6 . . . . 0.0 109.534 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.7 mt -131.99 172.94 11.73 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.003 0.921 . . . . 0.0 110.459 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.63 -177.65 51.29 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 122.944 0.306 . . . . 0.0 112.608 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.16 142.28 28.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.66 -40.8 79.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 122.967 0.507 . . . . 0.0 111.049 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -81.91 -9.32 59.62 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.589 0.356 . . . . 0.0 110.925 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.3 t -95.69 8.29 43.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.234 0.614 . . . . 0.0 111.346 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 57.7 34.21 24.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.607 0.763 . . . . 0.0 112.671 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -79.68 127.72 32.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.533 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.47 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.2 p -112.82 14.65 19.9 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 122.982 0.513 . . . . 0.0 111.073 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -53.31 150.49 6.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.303 0.641 . . . . 0.0 111.054 -176.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.8 tp -135.3 150.95 50.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.278 0.631 . . . . 0.0 110.454 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.4 t -126.48 136.81 53.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.277 0.631 . . . . 0.0 109.933 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.31 138.13 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.34 147.47 50.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.919 0.488 . . . . 0.0 109.876 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.7 t0 48.33 52.18 13.9 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.74 142.68 39.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -136.95 162.36 33.5 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.418 1.087 . . . . 0.0 109.287 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.61 -14.44 20.34 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -85.89 -2.24 58.06 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.248 0.477 . . . . 0.0 111.401 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -95.85 -17.28 21.25 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.05 135.8 51.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.73 -148.94 20.54 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.72 151.97 45.93 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.039 0.535 . . . . 0.0 111.028 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 72.1 m-85 -139.7 161.22 38.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.101 0.96 . . . . 0.0 111.232 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -144.55 158.04 43.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -104.54 158.96 16.13 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.437 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.9 ttt85 -138.2 149.99 46.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 121.836 -0.54 . . . . 0.0 110.746 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tp -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.553 1.141 . . . . 0.0 110.401 -175.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -138.73 131.14 28.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 169.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -153.78 111.83 3.57 Favored 'General case' 0 C--O 1.228 -0.071 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.4 -123.53 32.94 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 108.757 -1.737 . . . . 0.0 108.757 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -85.29 -6.81 59.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.1 tpp -68.35 136.82 53.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.2 0.455 . . . . 0.0 111.413 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -147.13 124.77 11.78 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.549 1.14 . . . . 0.0 109.116 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 59.4 t-105 -160.36 137.35 9.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.437 ' HB3' HH11 ' A' ' 109' ' ' ARG . 77.3 p -113.4 131.93 55.81 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -84.22 78.36 9.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -146.37 162.66 37.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.3 p -77.97 156.21 30.33 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -140.13 -164.37 1.69 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.424 1.489 . . . . 0.0 110.135 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.89 -49.62 8.29 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.97 1.308 . . . . 0.0 112.982 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.89 -15.3 3.03 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.41 138.05 38.3 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -135.5 141.43 45.29 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 122.839 0.456 . . . . 0.0 110.052 -175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 t -154.2 161.47 41.82 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.08 155.61 30.49 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.482 0.713 . . . . 0.0 111.913 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -136.19 171.17 14.87 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.277 1.031 . . . . 0.0 111.16 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.5 tp -112.47 126.11 54.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.811 0.844 . . . . 0.0 109.739 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.5 m -103.39 131.71 50.25 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -109.25 148.13 13.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.95 154.97 46.32 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.0 t -134.96 142.87 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.042 0.537 . . . . 0.0 110.414 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.94 146.0 35.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.217 0.607 . . . . 0.0 112.581 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.07 149.68 41.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.986 -0.446 . . . . 0.0 110.997 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.18 -23.52 67.12 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 117.84 2.533 . . . . 0.0 117.84 172.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.57 132.73 54.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 172.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.67 11.46 85.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.786 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.83 130.72 42.08 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.431 1.115 . . . . 0.0 112.764 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.42 -9.14 78.12 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-O 119.444 -0.642 . . . . 0.0 111.975 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.09 105.27 16.89 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.919 0.859 . . . . 0.0 110.109 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.434 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.55 161.58 37.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.162 0.505 . . . . 0.0 110.423 176.3 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -147.24 147.11 30.1 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.852 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.434 HE22 HD23 ' A' ' 12' ' ' LEU . 22.3 mp0 -130.7 130.31 43.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.438 0.695 . . . . 0.0 109.809 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -152.75 160.39 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.832 0.453 . . . . 0.0 110.842 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.47 127.97 29.92 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.52 -26.47 55.26 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -155.45 123.82 5.91 Favored 'General case' 0 C--O 1.227 -0.079 0 C-N-CA 122.713 0.405 . . . . 0.0 109.917 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.497 HG21 HG22 ' A' ' 29' ' ' VAL . 42.8 t -112.65 123.24 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -107.59 127.35 53.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.22 145.57 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.791 0.436 . . . . 0.0 109.988 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -71.97 156.78 38.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.909 -0.494 . . . . 0.0 110.579 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -73.34 128.58 35.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.702 -0.624 . . . . 0.0 110.0 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.38 2.66 61.79 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.719 -1.045 . . . . 0.0 114.838 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.57 179.07 6.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.515 1.657 . . . . 0.0 111.674 175.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -102.08 168.13 9.58 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 p -154.04 153.91 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.361 1.064 . . . . 0.0 110.744 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.435 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -107.04 143.27 35.39 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.687 0.795 . . . . 0.0 109.64 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG22 HG21 ' A' ' 19' ' ' VAL . 28.1 t -131.52 111.26 15.05 Favored Pre-proline 0 C--O 1.231 0.123 0 C-N-CA 123.251 0.621 . . . . 0.0 110.937 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.07 135.73 19.34 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.794 2.329 . . . . 0.0 110.123 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.8 t -148.66 145.54 27.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.043 0.537 . . . . 0.0 110.393 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -146.06 152.9 40.07 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.079 0.951 . . . . 0.0 110.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -150.19 170.8 18.09 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 112.189 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -148.3 154.64 40.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.079 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -154.27 159.62 31.78 Favored Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.298 1.039 . . . . 0.0 113.061 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -59.51 154.21 49.52 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.435 2.757 . . . . 0.0 111.756 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.8 13.25 3.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -91.93 151.16 20.65 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.49 5.03 88.93 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.553 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.491 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.76 174.2 12.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.302 1.051 . . . . 0.0 111.361 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -143.89 162.46 36.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.43 -21.92 62.83 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -75.56 -23.36 56.55 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.09 -0.381 . . . . 0.0 111.642 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -87.96 122.22 70.21 Favored Pre-proline 0 C--O 1.232 0.134 0 C-N-CA 122.72 0.408 . . . . 0.0 111.244 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.26 151.72 34.28 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.86 2.373 . . . . 0.0 110.746 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.98 151.13 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -136.03 130.86 34.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.413 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.2 156.16 15.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -151.56 149.23 28.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -119.29 147.81 43.87 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.119 0.568 . . . . 0.0 112.13 174.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -141.7 153.45 44.67 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -77.71 137.48 38.52 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.408 0 O-C-N 122.035 -0.416 . . . . 0.0 110.85 -177.752 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.16 154.61 61.97 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.139 2.56 . . . . 0.0 110.321 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -76.99 -19.92 14.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.26 147.85 14.66 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.333 -0.129 0 C-N-CA 122.565 0.346 . . . . 0.0 110.548 177.905 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 111.39 0.145 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -55.51 143.76 28.37 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.818 0.447 . . . . 0.0 111.679 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.14 61.98 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -82.7 -5.63 58.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.826 0.284 . . . . 0.0 110.91 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.9 p -125.3 5.29 7.75 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.71 120.97 11.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -174.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 -13.76 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.774 0.702 . . . . 0.0 112.974 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -91.65 -29.68 16.75 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.48 1.14 . . . . 0.0 111.281 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.27 127.59 53.35 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -147.02 142.09 27.1 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.82 154.56 39.46 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.08 0.552 . . . . 0.0 109.799 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.2 mt -131.04 170.92 13.84 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.14 0.976 . . . . 0.0 110.364 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.21 -176.64 54.0 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-O 121.189 0.327 . . . . 0.0 112.721 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -89.07 142.9 27.24 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.3 mt -68.45 -43.33 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.037 0.535 . . . . 0.0 111.089 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -81.24 -4.49 55.67 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.817 0.447 . . . . 0.0 110.864 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.4 t -99.63 8.14 44.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.489 0.715 . . . . 0.0 111.362 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 56.79 33.59 23.28 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.16 128.81 33.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.11 14.5 18.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.907 0.483 . . . . 0.0 111.083 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -53.51 151.1 6.07 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.29 0.636 . . . . 0.0 111.093 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.57 150.86 48.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.338 -173.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.3 t -126.75 136.12 52.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.79 136.99 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 96' ' ' ARG . 44.3 mtp180 -127.18 148.36 50.19 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.246 0.619 . . . . 0.0 109.888 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 45.6 t0 48.39 52.4 13.62 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.74 143.96 28.98 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -137.18 161.7 35.45 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.957 0.903 . . . . 0.0 109.394 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.71 -15.62 42.09 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -84.58 -4.67 59.1 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.369 0.531 . . . . 0.0 111.936 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -90.09 -19.77 23.95 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.77 134.89 50.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.973 0.509 . . . . 0.0 109.931 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.65 -148.44 19.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 t -126.45 153.34 45.18 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 122.899 0.48 . . . . 0.0 110.795 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.75 161.31 38.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.996 0.918 . . . . 0.0 111.442 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -143.01 155.99 44.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -102.04 158.81 15.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -138.77 148.69 44.16 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 118.288 0.495 . . . . 0.0 110.832 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.13 134.29 54.21 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.721 1.209 . . . . 0.0 110.133 -175.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.62 132.52 29.3 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -153.81 110.73 3.4 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.81 -124.23 35.98 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -172.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.7 t -82.38 -11.32 58.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.062 0.545 . . . . 0.0 111.694 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.1 tpp -66.25 136.68 56.2 Favored 'General case' 0 C--N 1.339 0.134 0 O-C-N 121.802 -0.561 . . . . 0.0 111.334 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -148.06 126.24 12.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.915 1.286 . . . . 0.0 109.29 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -161.69 127.73 3.7 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 111.121 175.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.0 m -96.75 130.41 44.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.179 0.591 . . . . 0.0 109.562 172.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.12 78.14 8.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -146.58 162.51 38.22 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.4 p -77.42 156.24 31.28 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -140.88 -164.55 1.76 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.456 1.502 . . . . 0.0 110.091 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.93 -48.84 8.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.128 1.371 . . . . 0.0 112.797 -176.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.98 -16.15 2.9 Favored 'General case' 0 C--N 1.34 0.156 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.94 138.64 38.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -137.13 141.47 42.26 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.941 0.496 . . . . 0.0 110.253 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -153.54 162.42 41.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.4 156.42 29.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.436 0.694 . . . . 0.0 111.75 -175.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -137.57 171.2 14.8 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.442 1.097 . . . . 0.0 110.869 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.4 tp -113.05 123.75 51.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.5 m -100.83 130.69 46.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 170.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.94 148.29 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.44 154.91 46.82 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.91 142.96 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.903 0.481 . . . . 0.0 110.405 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.08 146.17 35.13 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.106 0.562 . . . . 0.0 112.377 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.11 149.59 40.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 110.841 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.574 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.8 -18.8 65.55 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.422 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.331 1.1 t . . . . . 0 CA--C 1.532 0.252 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 173.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.24 130.93 48.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.442 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 77.92 14.35 82.43 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.868 -0.407 . . . . 0.0 113.004 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.17 129.87 41.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.405 1.103 . . . . 0.0 111.873 174.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.05 -7.9 81.08 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.428 -0.651 . . . . 0.0 112.108 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.89 105.04 15.33 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.693 0.747 . . . . 0.0 109.615 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.461 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.87 163.15 33.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.097 0.475 . . . . 0.0 110.74 177.261 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.12 145.1 28.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.883 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.461 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -124.32 127.26 47.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.872 0.469 . . . . 0.0 109.77 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.49 158.23 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.764 0.426 . . . . 0.0 111.757 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.71 133.21 46.96 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.845 0.858 . . . . 0.0 109.82 174.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -77.0 -31.07 56.2 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -154.17 127.48 8.49 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.981 0.513 . . . . 0.0 109.932 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.484 HG21 HG22 ' A' ' 29' ' ' VAL . 43.5 t -114.96 122.75 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -108.05 127.31 53.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 174.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.0 144.61 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.19 156.7 39.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.93 0.395 . . . . 0.0 110.563 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.11 129.87 39.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.507 -0.746 . . . . 0.0 110.326 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.72 1.74 63.49 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 118.686 -1.063 . . . . 0.0 114.824 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 178.73 6.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.491 1.646 . . . . 0.0 111.518 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -102.86 168.58 9.13 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -154.87 154.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 C-N-CA 124.274 1.029 . . . . 0.0 110.602 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.447 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.7 t60 -108.97 142.65 39.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.722 0.809 . . . . 0.0 109.819 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.484 HG22 HG21 ' A' ' 19' ' ' VAL . 42.3 t -131.26 111.88 15.5 Favored Pre-proline 0 CA--C 1.524 -0.048 0 C-N-CA 123.22 0.608 . . . . 0.0 110.578 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.28 135.48 18.63 Favored 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 122.895 2.397 . . . . 0.0 110.019 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.0 t -148.53 146.5 28.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.918 0.487 . . . . 0.0 109.815 178.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -147.17 155.85 42.48 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 123.278 0.631 . . . . 0.0 110.373 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -150.57 170.32 19.42 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t -147.9 153.74 39.48 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.35 159.39 31.99 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 124.062 0.945 . . . . 0.0 113.439 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.19 153.07 48.41 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.559 2.839 . . . . 0.0 111.797 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -86.01 18.64 2.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -101.55 156.39 17.51 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.05 3.99 88.71 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.516 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.9 p-90 -152.26 174.86 13.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.427 1.114 . . . . 0.0 111.306 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -144.7 163.25 34.55 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -60.85 -20.93 62.66 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.218 0.607 . . . . 0.0 112.432 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -75.0 -22.59 58.43 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.676 0.391 . . . . 0.0 111.429 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -92.11 122.61 64.66 Favored Pre-proline 0 N--CA 1.455 -0.2 0 C-N-CA 123.01 0.524 . . . . 0.0 112.3 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.28 152.4 39.44 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 123.091 2.527 . . . . 0.0 110.525 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.62 152.09 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -136.27 128.49 29.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.818 172.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.9 158.81 16.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -150.56 150.39 31.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -123.15 147.02 47.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.242 0.617 . . . . 0.0 112.089 174.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -146.82 156.1 42.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.494 0.718 . . . . 0.0 110.446 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 47.4 mtt180 -85.05 147.91 26.43 Favored 'General case' 0 CA--C 1.523 -0.092 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 O-C-N 122.043 -0.411 . . . . 0.0 111.077 -178.063 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.55 156.7 63.18 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.187 2.592 . . . . 0.0 110.111 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.33 -20.73 14.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.03 146.64 12.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.828 0.451 . . . . 0.0 110.167 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.462 0.164 0 C-N-CA 122.564 0.345 . . . . 0.0 111.157 178.771 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.233 0.19 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -56.26 139.54 47.72 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-O 120.688 0.28 . . . . 0.0 111.123 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.95 -19.78 63.36 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -92.68 -4.7 52.81 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 122.257 -0.277 . . . . 0.0 111.249 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.419 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.2 p -119.34 3.75 11.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.72 119.64 9.1 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.4 -16.89 3.52 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.604 0.621 . . . . 0.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -86.41 -31.26 21.54 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 118.097 0.948 . . . . 0.0 111.242 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 8.1 m-85 -105.4 127.45 52.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.95 141.23 26.26 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.95 154.26 39.43 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.392 0.677 . . . . 0.0 109.307 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.0 171.97 12.94 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.811 0.845 . . . . 0.0 110.211 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.4 -178.05 52.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 122.791 0.234 . . . . 0.0 112.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -86.83 139.68 30.44 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.37 -37.38 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.355 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -86.07 15.26 5.23 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.283 0.633 . . . . 0.0 111.563 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -131.64 14.02 4.92 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.015 0.526 . . . . 0.0 110.885 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.4 34.8 24.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.967 0.907 . . . . 0.0 113.101 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.86 126.49 30.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.035 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.461 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -111.74 13.83 21.11 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.095 0.558 . . . . 0.0 110.998 175.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.7 m -53.54 150.0 7.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.382 0.673 . . . . 0.0 110.782 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.4 tp -136.29 149.83 48.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.466 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.494 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.0 t -125.89 135.64 52.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.064 0.546 . . . . 0.0 109.748 173.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.9 mp -107.74 137.05 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 171.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -127.64 148.1 50.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.909 0.483 . . . . 0.0 109.725 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.7 t0 47.54 53.43 11.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.65 141.88 46.85 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -138.51 163.34 32.23 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.362 1.065 . . . . 0.0 109.733 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.76 -16.03 24.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -81.71 -5.32 58.02 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.814 0.445 . . . . 0.0 111.485 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -94.22 -20.04 20.19 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.005 0.522 . . . . 0.0 109.973 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -68.33 134.28 50.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.785 0.434 . . . . 0.0 110.406 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.44 -149.39 20.9 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.6 t -124.04 152.94 42.05 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.784 0.433 . . . . 0.0 110.6 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 51.6 m-85 -137.69 155.86 48.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.594 1.158 . . . . 0.0 112.786 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -142.81 155.01 44.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.252 22.6 t80 -103.78 157.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -137.16 150.61 48.05 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.666 0.386 . . . . 0.0 110.518 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -127.76 132.52 49.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.411 1.084 . . . . 0.0 110.266 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -139.47 131.96 28.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 169.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -153.78 112.37 3.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.485 0.714 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.26 -125.26 38.53 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -172.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -83.45 -8.57 59.35 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.077 0.551 . . . . 0.0 112.454 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.7 tpp -69.07 137.09 53.25 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 118.395 0.543 . . . . 0.0 110.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -146.02 128.77 16.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.131 1.372 . . . . 0.0 108.58 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.442 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 58.4 t-105 -159.55 145.21 15.86 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.181 0.446 . . . . 0.0 110.386 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -122.29 130.87 53.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.302 0.641 . . . . 0.0 109.655 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -86.53 78.71 9.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -146.12 145.36 30.48 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.586 0.355 . . . . 0.0 111.016 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.3 t -67.16 142.01 57.18 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.612 0.765 . . . . 0.0 112.002 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -139.3 -163.69 1.53 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.429 1.091 . . . . 0.0 111.24 -176.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -42.83 -48.65 5.77 Favored 'General case' 0 C--O 1.23 0.047 0 C-N-CA 125.37 1.468 . . . . 0.0 113.239 -175.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.94 -12.25 2.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 175.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -82.24 141.03 33.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -137.36 139.63 40.92 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 122.56 0.344 . . . . 0.0 110.755 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.14 163.73 39.26 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.561 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -73.72 154.71 39.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.129 0.972 . . . . 0.0 111.433 -174.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.65 167.46 21.36 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.379 1.072 . . . . 0.0 110.666 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.37 122.85 48.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.586 0.754 . . . . 0.0 109.767 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.2 m -99.21 130.42 45.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.91 148.0 13.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 172.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.85 154.95 46.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.24 142.91 40.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.806 0.442 . . . . 0.0 110.221 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.67 144.63 32.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.295 0.638 . . . . 0.0 112.324 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.67 151.45 42.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.11 -0.369 . . . . 0.0 110.771 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.15 -25.53 68.13 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.1 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 175.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.36 133.75 55.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 9.38 86.09 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.041 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.83 132.31 52.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.334 1.067 . . . . 0.0 110.752 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.37 -8.94 78.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.97 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.63 102.72 13.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.993 0.896 . . . . 0.0 110.273 175.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.492 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -139.45 160.21 40.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.188 0.518 . . . . 0.0 110.625 177.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.21 146.8 30.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.926 -174.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.492 HE22 HD23 ' A' ' 12' ' ' LEU . 22.7 mp0 -127.22 124.52 39.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.501 0.72 . . . . 0.0 109.74 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.42 158.39 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 122.931 0.493 . . . . 0.0 111.393 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.97 129.29 39.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.581 0.753 . . . . 0.0 109.804 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.5 -27.31 58.72 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.05 124.66 7.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG21 HG22 ' A' ' 29' ' ' VAL . 38.3 t -114.61 126.79 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.288 1.2 p -112.22 127.07 55.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 170.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -131.86 147.19 32.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.223 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.6 156.25 39.61 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.026 0.441 . . . . 0.0 110.451 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -74.01 128.15 34.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.732 -0.605 . . . . 0.0 109.941 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.83 3.43 59.31 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.672 -1.071 . . . . 0.0 114.911 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.09 -178.58 5.03 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.346 1.573 . . . . 0.0 111.673 175.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -104.53 167.61 9.63 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.75 150.22 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.524 1.13 . . . . 0.0 110.642 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.448 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.7 t60 -102.88 142.79 33.39 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.025 0.93 . . . . 0.0 109.882 178.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG22 HG21 ' A' ' 19' ' ' VAL . 51.6 t -131.59 112.96 15.29 Favored Pre-proline 0 N--CA 1.458 -0.069 0 C-N-CA 122.903 0.481 . . . . 0.0 110.522 176.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.02 136.46 18.41 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.892 2.395 . . . . 0.0 110.07 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.0 t -149.84 142.44 24.49 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.973 0.509 . . . . 0.0 110.221 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -144.48 155.6 43.79 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 123.704 0.802 . . . . 0.0 109.978 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -150.73 173.23 14.42 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 121.025 0.441 . . . . 0.0 111.944 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -148.99 154.53 39.49 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.989 0.516 . . . . 0.0 111.046 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -153.72 160.63 30.71 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 124.227 1.011 . . . . 0.0 113.635 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.72 153.4 56.3 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.293 2.662 . . . . 0.0 111.613 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -82.51 13.07 3.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.09 151.25 20.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.78 4.61 88.72 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.532 -0.593 . . . . 0.0 113.646 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.53 175.11 11.43 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 118.463 1.131 . . . . 0.0 111.191 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -144.91 163.2 34.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -60.8 -22.6 64.29 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t -75.03 -20.23 59.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.665 0.386 . . . . 0.0 111.539 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -92.63 121.69 65.66 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 122.786 0.434 . . . . 0.0 112.03 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.43 153.15 39.59 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 122.83 2.353 . . . . 0.0 110.267 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.92 152.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -136.36 131.62 34.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.34 157.66 15.79 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.477 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -150.53 152.24 33.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.721 0.809 . . . . 0.0 109.994 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -131.86 146.49 52.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 122.974 0.51 . . . . 0.0 112.269 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -149.41 157.42 43.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.219 -1.401 . . . . 0.0 107.219 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 54.0 mtt85 -80.53 154.06 27.75 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.531 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.01 159.76 49.36 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.732 2.955 . . . . 0.0 110.334 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -77.98 -21.61 13.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 147.95 13.69 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.769 0.428 . . . . 0.0 110.432 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.456 -0.152 0 C-N-CA 122.385 0.274 . . . . 0.0 111.221 178.053 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m . . . . . 0 CA--C 1.527 0.077 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -55.96 141.24 40.32 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.074 0.464 . . . . 0.0 111.082 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.38 -20.59 62.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.597 0.359 . . . . 0.0 111.716 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -90.3 -5.26 56.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.708 0.403 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.9 p -122.73 5.57 9.45 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.16 119.17 8.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.1 -15.77 3.92 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.791 0.71 . . . . 0.0 112.862 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -87.02 -28.47 22.6 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 118.393 1.096 . . . . 0.0 111.171 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.9 m-85 -110.92 127.49 55.49 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.81 142.6 27.88 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.96 154.19 39.45 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.553 0.741 . . . . 0.0 109.525 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.54 174.5 10.2 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.966 0.906 . . . . 0.0 110.042 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.45 -176.83 54.56 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 122.9 0.286 . . . . 0.0 112.871 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.22 132.57 36.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.86 -37.37 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.662 0.785 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -85.95 10.96 12.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.05 0.54 . . . . 0.0 111.494 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -125.79 15.82 8.06 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 110.824 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.01 34.23 23.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.663 0.785 . . . . 0.0 113.107 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.68 128.84 34.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.817 -0.552 . . . . 0.0 112.487 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.459 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.79 13.7 17.28 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.101 0.56 . . . . 0.0 111.27 175.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.49 149.9 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.401 0.68 . . . . 0.0 111.276 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 tp -135.33 149.72 49.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.221 -173.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.479 ' HB2' HD11 ' A' ' 83' ' ' LEU . 16.5 t -124.19 135.4 53.44 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 123.177 0.591 . . . . 0.0 109.423 173.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -109.37 135.79 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -128.87 152.96 47.94 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.748 0.819 . . . . 0.0 109.074 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.3 41.32 30.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.81 144.56 27.22 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.134 0.574 . . . . 0.0 112.372 -171.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -140.41 161.25 38.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 124.908 1.283 . . . . 0.0 109.38 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -59.86 -14.68 16.33 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -83.76 -3.59 57.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.901 0.48 . . . . 0.0 111.766 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -95.16 -19.52 20.01 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -66.5 134.23 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.06 -147.79 17.29 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 t -124.68 154.21 41.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.111 0.564 . . . . 0.0 111.046 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.552 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 39.7 m-85 -138.81 155.59 48.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.76 1.224 . . . . 0.0 112.831 -175.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -141.14 152.87 45.05 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -100.92 160.99 13.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -139.1 145.89 40.03 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.067 0.46 . . . . 0.0 111.34 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.6 tp -118.15 134.18 55.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.971 1.308 . . . . 0.0 109.879 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -140.11 131.12 26.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.96 110.76 3.37 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.23 -123.24 32.47 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -173.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.0 t -83.3 -8.94 59.36 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.011 0.524 . . . . 0.0 111.792 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.7 tpp -68.74 136.59 53.07 Favored 'General case' 0 C--N 1.339 0.109 0 O-C-N 121.682 -0.636 . . . . 0.0 111.198 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -147.91 127.27 13.09 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.966 1.306 . . . . 0.0 109.357 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.1 t-105 -161.81 133.78 5.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 118.499 0.591 . . . . 0.0 111.26 175.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.439 ' HB2' ' HE2' ' A' ' 120' ' ' LYS . 28.9 m -101.34 131.6 47.32 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.306 0.642 . . . . 0.0 109.533 170.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -83.09 78.14 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' A' ' 118' ' ' SER . 58.6 pttt -145.95 146.18 30.94 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.73 0.812 . . . . 0.0 110.113 -176.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -70.24 152.73 43.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.994 0.518 . . . . 0.0 111.365 -176.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -142.4 -156.37 0.68 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.006 0.922 . . . . 0.0 110.568 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -45.61 -47.48 14.7 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.614 1.566 . . . . 0.0 112.519 -176.326 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.17 -14.67 1.76 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -77.73 143.3 38.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -138.92 140.99 38.49 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 123.258 0.623 . . . . 0.0 110.666 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.7 t -156.89 165.03 37.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.498 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -72.73 154.93 40.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.405 1.082 . . . . 0.0 111.458 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.27 168.33 19.96 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.259 1.024 . . . . 0.0 110.401 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.7 tp -115.87 122.35 45.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.347 0.659 . . . . 0.0 110.038 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.3 m -97.59 130.39 44.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -107.0 148.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.067 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.44 155.22 45.07 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -175.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.9 t -135.66 142.95 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.896 0.478 . . . . 0.0 109.743 -176.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.93 145.89 35.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.038 0.535 . . . . 0.0 112.319 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.07 150.85 38.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.097 0.475 . . . . 0.0 110.732 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.2 -24.31 67.63 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.074 174.078 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 172.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.13 134.0 55.5 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 172.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 11.64 85.16 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.902 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -55.35 131.15 45.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.674 1.237 . . . . 0.0 112.904 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.92 -9.31 77.13 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-O 119.407 -0.663 . . . . 0.0 111.799 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.44 105.1 16.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.943 0.871 . . . . 0.0 110.208 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.426 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.7 162.13 36.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.225 0.536 . . . . 0.0 110.868 176.499 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -147.81 147.15 29.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.058 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.426 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.92 129.89 42.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.46 0.704 . . . . 0.0 109.625 178.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 p -152.79 160.23 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.124 0.57 . . . . 0.0 110.66 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.55 127.73 29.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.86 -27.25 60.18 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -154.94 123.82 6.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.497 HG21 HG22 ' A' ' 29' ' ' VAL . 40.5 t -112.56 129.27 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.283 1.3 p -115.13 128.57 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 169.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.47 146.89 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.027 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.301 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.86 155.81 39.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.953 -0.467 . . . . 0.0 110.708 176.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -74.05 127.44 32.9 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.681 -0.637 . . . . 0.0 109.693 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.3 1.62 55.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.025 -0.875 . . . . 0.0 114.71 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.04 179.37 6.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 119.193 1.496 . . . . 0.0 111.514 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -102.87 169.61 8.49 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -155.32 153.27 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 124.373 1.069 . . . . 0.0 110.78 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.438 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -106.15 143.4 34.33 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.85 0.86 . . . . 0.0 109.693 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG22 HG21 ' A' ' 19' ' ' VAL . 40.0 t -132.21 112.33 14.38 Favored Pre-proline 0 CA--C 1.529 0.159 0 C-N-CA 123.102 0.561 . . . . 0.0 110.926 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.16 136.26 19.85 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.834 2.356 . . . . 0.0 110.189 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.5 t -149.18 145.26 27.07 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.691 0.396 . . . . 0.0 110.236 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.2 m -145.54 152.98 40.59 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.87 0.868 . . . . 0.0 110.326 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -150.13 171.77 16.36 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.82 -0.55 . . . . 0.0 112.055 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.26 153.98 39.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.074 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -153.75 159.64 31.84 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.886 0.874 . . . . 0.0 113.238 -174.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.57 151.48 62.13 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.14 2.56 . . . . 0.0 111.286 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.484 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -81.64 13.77 2.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -92.52 149.86 21.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.28 5.15 87.53 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.666 -0.519 . . . . 0.0 113.364 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.484 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.56 173.55 13.04 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.468 1.134 . . . . 0.0 111.423 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.9 163.01 34.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -60.26 -21.41 61.84 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.2 t -76.19 -17.91 59.31 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.888 -0.507 . . . . 0.0 111.561 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -96.49 119.14 64.6 Favored Pre-proline 0 C--O 1.233 0.205 0 C-N-CA 122.892 0.477 . . . . 0.0 111.938 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.4 154.08 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.756 2.304 . . . . 0.0 110.485 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.57 152.96 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -136.26 127.15 27.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.449 171.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.72 158.9 15.56 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -151.67 147.85 27.23 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -118.02 148.05 42.62 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 122.906 0.482 . . . . 0.0 112.174 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -143.05 151.82 41.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -79.51 141.5 36.64 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.26 0 O-C-N 121.991 -0.443 . . . . 0.0 110.829 -178.821 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.62 155.87 58.44 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.448 2.765 . . . . 0.0 109.816 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -79.15 -20.62 12.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 O-C-N 121.949 -0.47 . . . . 0.0 110.14 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.11 146.57 14.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.741 0.416 . . . . 0.0 109.992 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.46 0.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.74 178.761 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 111.135 0.05 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -53.88 141.79 26.33 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.838 0.351 . . . . 0.0 111.596 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.42 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -81.75 -10.33 59.39 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.022 0.374 . . . . 0.0 110.66 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.427 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -119.39 4.98 11.17 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.34 119.99 9.56 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -13.15 5.43 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.75 0.691 . . . . 0.0 113.368 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -91.97 -28.31 17.31 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 118.488 1.144 . . . . 0.0 111.46 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.427 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -107.3 127.58 53.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 176.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.67 141.61 27.02 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.8 154.57 39.47 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.351 0.66 . . . . 0.0 109.434 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -132.79 173.16 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.156 0.983 . . . . 0.0 110.361 -178.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -178.32 52.91 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 121.413 0.452 . . . . 0.0 113.206 175.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.27 131.85 34.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.59 -38.61 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.607 0.763 . . . . 0.0 110.951 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -83.04 -7.4 59.66 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.252 0.221 . . . . 0.0 111.008 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -98.15 10.4 40.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.297 0.639 . . . . 0.0 111.354 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 56.51 34.72 24.82 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.345 0.658 . . . . 0.0 112.248 -176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -79.23 126.8 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.157 -0.339 . . . . 0.0 111.484 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.465 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 p -112.26 14.45 20.51 Favored 'General case' 0 N--CA 1.46 0.053 0 C-N-CA 123.313 0.645 . . . . 0.0 110.578 175.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -53.41 150.37 6.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.377 0.671 . . . . 0.0 110.822 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.6 tp -135.57 150.91 49.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.225 0.61 . . . . 0.0 110.544 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.478 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.2 t -126.49 134.84 50.82 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.296 0.638 . . . . 0.0 109.594 172.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.83 136.9 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -126.34 148.17 49.61 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 48.43 49.76 17.67 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 140.0 44.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.459 0.304 . . . . 0.0 111.784 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -137.5 166.26 24.3 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.465 0.706 . . . . 0.0 110.252 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.58 -16.47 25.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -171.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -82.09 -6.31 59.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.3 0.5 . . . . 0.0 111.531 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -92.88 -17.05 24.52 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 118.336 0.516 . . . . 0.0 110.282 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.11 137.14 53.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.63 -149.72 21.62 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -124.93 152.45 44.09 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.654 0.382 . . . . 0.0 110.433 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.08 160.92 38.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.313 1.045 . . . . 0.0 111.642 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -143.64 156.86 44.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -101.65 158.52 16.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -141.04 152.08 44.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.819 -0.551 . . . . 0.0 110.615 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -130.07 135.36 48.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.849 0.859 . . . . 0.0 111.658 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -140.41 133.9 30.03 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.543 0.737 . . . . 0.0 109.274 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.69 111.26 3.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.15 41.29 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.6 m -82.55 -6.98 59.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.159 0.584 . . . . 0.0 112.493 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 40.0 tpp -68.28 135.9 52.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.5 0.591 . . . . 0.0 111.48 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -145.81 123.22 11.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.454 1.102 . . . . 0.0 109.606 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -159.86 142.32 13.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 117.997 0.362 . . . . 0.0 110.416 173.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.3 t -119.62 130.31 55.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.778 0.831 . . . . 0.0 109.765 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -83.85 78.41 9.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -148.22 157.69 43.64 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.9 p -74.75 160.79 30.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.435 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 15.3 mp0 -146.07 -161.99 1.43 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.931 1.293 . . . . 0.0 110.201 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.435 ' H ' ' HB3' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -43.66 -49.97 7.6 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 125.515 1.526 . . . . 0.0 112.843 -176.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.76 -14.61 3.16 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -79.89 139.23 37.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.4 141.25 41.69 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 122.626 0.371 . . . . 0.0 110.398 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -154.54 161.35 41.68 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.2 156.58 31.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.502 0.721 . . . . 0.0 111.844 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -136.9 172.02 13.64 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.536 1.135 . . . . 0.0 111.162 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.0 tp -114.84 122.57 46.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.853 0.861 . . . . 0.0 110.073 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.0 m -98.57 131.39 44.82 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.4 147.95 13.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 122.651 0.38 . . . . 0.0 109.994 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.22 155.11 46.08 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -134.28 143.23 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 123.006 0.522 . . . . 0.0 110.047 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.55 145.81 35.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.058 0.543 . . . . 0.0 112.426 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.72 149.89 39.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.016 -0.427 . . . . 0.0 111.045 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.31 -20.44 66.09 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 173.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.37 133.38 55.67 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.406 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 76.89 12.03 84.96 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.836 -0.424 . . . . 0.0 113.008 -177.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.8 129.2 38.47 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.288 1.044 . . . . 0.0 112.457 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.7 80.53 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.132 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -101.63 104.13 14.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 117.776 0.788 . . . . 0.0 110.188 175.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.25 162.08 36.34 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.515 177.095 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -147.27 146.76 29.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.386 0.675 . . . . 0.0 109.954 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.455 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.15 131.7 45.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.94 0.496 . . . . 0.0 109.734 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.77 160.2 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.936 0.494 . . . . 0.0 110.572 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -54.87 127.56 29.16 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.65 -28.0 60.67 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -173.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.4 123.69 7.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.496 HG21 HG22 ' A' ' 29' ' ' VAL . 45.0 t -111.89 128.99 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.298 1.1 p -115.35 129.27 56.55 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.83 147.6 30.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.507 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.29 154.91 40.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.002 0.43 . . . . 0.0 110.549 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -72.03 127.41 32.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.707 -0.621 . . . . 0.0 110.196 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.81 1.71 58.61 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.799 -1.0 . . . . 0.0 115.082 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.69 179.09 6.37 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.424 1.612 . . . . 0.0 111.777 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.1 p -101.22 168.64 9.43 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.93 155.34 5.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 124.56 1.144 . . . . 0.0 110.565 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.452 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -108.59 142.89 38.38 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.994 0.918 . . . . 0.0 109.703 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.496 HG22 HG21 ' A' ' 19' ' ' VAL . 40.3 t -131.7 112.17 14.99 Favored Pre-proline 0 C--O 1.231 0.124 0 C-N-CA 122.994 0.518 . . . . 0.0 111.04 177.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.37 136.42 19.65 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.59 2.193 . . . . 0.0 110.256 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -149.05 148.03 29.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.158 0.583 . . . . 0.0 110.184 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -148.11 155.53 41.55 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 123.595 0.758 . . . . 0.0 110.415 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -151.81 169.14 22.97 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -146.64 153.06 39.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -153.86 160.11 31.3 Favored Pre-proline 0 C--O 1.233 0.214 0 C-N-CA 124.078 0.951 . . . . 0.0 113.477 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -58.72 152.43 56.6 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.294 2.663 . . . . 0.0 111.486 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.17 13.68 3.32 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -92.81 149.87 21.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.88 5.3 88.03 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.399 -0.667 . . . . 0.0 113.284 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.493 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.94 174.33 12.37 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 118.313 1.056 . . . . 0.0 110.651 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -146.03 164.48 31.98 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.4 -23.42 62.59 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -76.21 -14.93 60.13 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.13 119.23 62.44 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 122.985 0.514 . . . . 0.0 111.653 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.63 152.03 37.46 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 122.963 2.442 . . . . 0.0 110.476 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.11 152.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -136.27 128.22 29.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.053 -0.404 . . . . 0.0 110.578 172.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.3 158.34 16.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -150.72 147.64 27.58 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -118.51 148.38 42.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -143.57 152.91 42.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 75.5 mtt-85 -79.35 141.56 36.83 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -177.71 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.73 154.71 59.13 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.314 2.676 . . . . 0.0 110.003 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.3 m -77.64 -20.87 13.93 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.067 0 O-C-N 122.14 -0.35 . . . . 0.0 110.132 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.34 147.22 14.17 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.784 0.326 . . . . 0.0 111.835 178.591 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.233 0.232 0 N-CA-C 110.771 -0.085 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.34 138.62 38.98 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.727 0.299 . . . . 0.0 111.296 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.83 -23.75 63.35 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.557 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -82.41 -7.31 59.64 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.507 -0.282 . . . . 0.0 111.095 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -124.32 5.98 8.41 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.73 122.25 14.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.2 -14.31 4.03 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.595 -0.559 . . . . 0.0 112.929 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -90.46 -31.48 16.78 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.445 1.122 . . . . 0.0 111.429 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -104.67 126.62 51.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.59 141.35 26.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.67 154.2 39.79 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.492 0.717 . . . . 0.0 109.584 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.9 mt -131.35 174.18 10.32 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.177 0.991 . . . . 0.0 110.131 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.33 -177.72 50.54 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-O 121.073 0.263 . . . . 0.0 112.8 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -87.19 141.1 28.9 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.26 -41.02 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.693 0.397 . . . . 0.0 110.83 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -81.2 -8.66 59.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.737 0.415 . . . . 0.0 110.843 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.5 t -94.72 7.3 46.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.308 0.643 . . . . 0.0 111.638 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 57.21 33.97 24.11 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.312 0.645 . . . . 0.0 112.452 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -79.35 126.64 31.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.182 -0.324 . . . . 0.0 111.097 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.32 14.33 22.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.834 0.454 . . . . 0.0 110.916 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.4 m -52.71 150.52 5.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.425 0.69 . . . . 0.0 111.295 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.14 151.3 49.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.532 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.0 t -127.33 135.0 49.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.165 0.586 . . . . 0.0 109.733 172.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.4 138.3 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.96 150.03 50.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.1 t0 47.59 53.21 11.47 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.14 143.77 37.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -138.26 161.47 36.8 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 124.202 1.001 . . . . 0.0 109.337 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -60.41 -14.34 18.46 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -174.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -85.42 -3.3 58.8 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.079 0.4 . . . . 0.0 111.542 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -93.85 -17.58 22.91 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -69.57 136.03 50.78 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.19 -146.99 16.43 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -129.56 153.02 48.45 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.546 0.338 . . . . 0.0 110.574 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 76.2 m-85 -139.99 161.32 37.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.382 1.073 . . . . 0.0 111.287 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -144.17 158.52 43.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.253 25.4 t80 -105.42 158.94 16.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -138.42 151.1 47.15 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.032 0.533 . . . . 0.0 110.756 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -128.36 132.84 48.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.48 1.112 . . . . 0.0 110.526 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -139.69 132.39 28.98 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 169.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.87 112.6 3.66 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.18 -124.79 37.01 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.2 t -82.63 -12.84 57.37 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.905 0.482 . . . . 0.0 111.929 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.5 tpp -65.38 136.23 56.26 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -145.53 127.25 15.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.008 1.323 . . . . 0.0 108.888 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.406 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 65.5 t-105 -159.41 150.16 19.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.84 0.291 . . . . 0.0 110.343 174.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 t -128.62 128.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.139 0.576 . . . . 0.0 109.615 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -84.94 78.53 9.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -173.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.22 149.24 33.55 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.799 0.44 . . . . 0.0 110.489 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -64.06 149.81 46.74 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 122.817 0.447 . . . . 0.0 111.412 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -144.55 -160.49 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.415 0.686 . . . . 0.0 109.694 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.439 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -48.05 -49.46 31.34 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.826 0.85 . . . . 0.0 112.593 -174.109 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.72 -18.18 2.78 Favored 'General case' 0 C--N 1.335 -0.054 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -75.25 143.16 43.19 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -138.83 140.98 38.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.412 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -155.75 161.99 40.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -77.44 156.6 31.0 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.756 0.822 . . . . 0.0 112.118 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -136.32 171.54 14.33 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.453 1.101 . . . . 0.0 111.065 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.2 tp -113.39 122.2 46.64 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.691 0.797 . . . . 0.0 110.006 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -99.04 130.73 45.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.45 148.38 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.529 0.331 . . . . 0.0 110.2 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.06 155.36 46.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.66 143.0 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.276 0.63 . . . . 0.0 110.091 -176.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.52 146.88 36.92 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.048 0.539 . . . . 0.0 112.452 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.76 150.87 37.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.621 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.583 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.25 -23.4 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 174.102 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.322 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 172.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -57.93 133.65 55.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 172.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.42 11.67 85.28 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 119.642 -0.532 . . . . 0.0 113.074 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.15 131.06 46.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.546 1.173 . . . . 0.0 112.29 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.66 -7.8 79.78 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.658 -0.523 . . . . 0.0 112.03 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.54 103.54 14.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.856 0.828 . . . . 0.0 110.156 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -140.0 160.08 40.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.082 0.468 . . . . 0.0 110.474 177.058 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.9 147.23 30.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.556 0.742 . . . . 0.0 109.948 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.455 HE22 HD23 ' A' ' 12' ' ' LEU . 22.3 mp0 -127.84 125.72 40.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.329 0.652 . . . . 0.0 109.713 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -151.97 158.77 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 122.409 0.284 . . . . 0.0 111.519 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -53.72 132.26 40.75 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.191 0.996 . . . . 0.0 110.266 176.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -75.65 -29.95 59.28 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 tp -155.98 121.38 4.85 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.06 0.391 . . . . 0.0 110.271 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.475 HG21 HG22 ' A' ' 29' ' ' VAL . 43.1 t -108.57 123.44 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -107.48 127.78 53.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -135.1 144.95 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.44 156.25 39.68 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -72.83 130.55 40.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.684 -0.635 . . . . 0.0 110.002 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.98 1.75 65.03 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.694 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.75 178.82 6.36 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.369 1.584 . . . . 0.0 111.306 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -103.14 168.34 9.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -155.01 149.37 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.339 1.056 . . . . 0.0 110.796 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.2 t60 -104.4 141.64 35.99 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.848 0.859 . . . . 0.0 109.753 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.475 HG22 HG21 ' A' ' 19' ' ' VAL . 41.2 t -130.35 111.89 16.69 Favored Pre-proline 0 N--CA 1.456 -0.162 0 C-N-CA 123.125 0.57 . . . . 0.0 110.711 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.86 136.3 20.54 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.942 2.428 . . . . 0.0 110.082 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.4 t -149.47 143.49 25.7 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 122.727 0.411 . . . . 0.0 110.444 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -143.65 154.17 43.25 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.811 0.844 . . . . 0.0 110.404 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -151.24 171.45 17.4 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.978 -0.451 . . . . 0.0 112.164 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -148.0 154.53 40.42 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.539 0.336 . . . . 0.0 111.247 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -152.64 160.48 31.1 Favored Pre-proline 0 CA--C 1.532 0.256 0 C-N-CA 124.14 0.976 . . . . 0.0 113.37 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.25 151.1 62.16 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.517 2.811 . . . . 0.0 111.892 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -88.45 35.81 0.77 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.196 0.598 . . . . 0.0 112.562 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.82 157.16 42.98 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.17 3.44 84.94 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.8 p-90 -151.64 175.29 12.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.65 0.725 . . . . 0.0 110.989 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -145.12 164.07 32.38 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -61.41 -21.81 64.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -76.28 -16.06 59.87 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.689 0.396 . . . . 0.0 111.817 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -98.8 121.87 54.74 Favored Pre-proline 0 CA--C 1.528 0.099 0 C-N-CA 122.882 0.473 . . . . 0.0 111.645 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.95 152.19 40.73 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.05 2.5 . . . . 0.0 110.332 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.86 152.31 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -136.07 127.88 29.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.264 -0.272 . . . . 0.0 110.364 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.26 157.14 15.66 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -150.5 147.15 27.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -117.07 146.97 42.77 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -144.59 154.7 43.12 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.397 0.679 . . . . 0.0 112.097 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.6 mtm180 -87.13 144.93 26.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 177.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.227 0 O-C-N 122.162 -0.336 . . . . 0.0 111.034 -177.251 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.4 155.45 60.0 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.392 2.728 . . . . 0.0 109.786 176.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -78.08 -20.0 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.012 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 149.11 12.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.788 0.435 . . . . 0.0 110.092 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 CA--C 1.526 0.057 0 C-N-CA 122.761 0.424 . . . . 0.0 111.629 178.033 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 119.949 -0.072 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -54.02 139.21 35.27 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.619 0.247 . . . . 0.0 111.034 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.08 63.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -90.27 -1.0 57.88 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.147 -0.346 . . . . 0.0 111.507 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.1 p -125.39 3.7 7.72 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.86 121.77 13.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.53 -11.47 9.63 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.147 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -94.54 -33.44 13.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.487 1.144 . . . . 0.0 111.197 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -103.95 125.27 50.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.22 142.78 28.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.88 154.45 39.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.238 0.615 . . . . 0.0 109.483 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.9 mt -131.84 173.14 11.48 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.876 0.87 . . . . 0.0 110.161 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.64 -177.85 53.59 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 121.329 0.405 . . . . 0.0 112.968 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.43 132.14 34.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -62.54 -38.8 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.419 0.688 . . . . 0.0 111.31 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -83.48 -5.7 59.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.604 0.361 . . . . 0.0 111.078 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.5 t -98.33 9.48 42.96 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.54 0.736 . . . . 0.0 111.167 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.49 34.68 24.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.278 0.631 . . . . 0.0 112.319 -175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -79.0 127.65 32.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.922 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.471 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.08 14.73 18.36 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 122.958 0.503 . . . . 0.0 110.975 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.2 m -52.98 150.66 5.32 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.25 0.62 . . . . 0.0 111.028 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.19 149.5 48.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.042 0.537 . . . . 0.0 110.741 -174.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.482 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.5 t -123.93 138.81 54.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.586 0.754 . . . . 0.0 109.578 174.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.5 136.61 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -129.69 148.93 51.63 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 122.749 0.42 . . . . 0.0 111.062 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.5 t0 46.89 55.53 7.78 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.57 143.87 28.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -172.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -129.09 157.49 41.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.14 1.376 . . . . 0.0 108.933 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -62.89 -13.5 34.96 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.17 -4.19 59.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 111.594 176.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -89.48 -19.48 25.03 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -69.2 135.61 50.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.96 0.504 . . . . 0.0 109.761 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.93 -151.08 23.04 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.8 t -122.01 153.29 38.76 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 122.809 0.444 . . . . 0.0 111.017 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.546 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.0 m-85 -137.63 156.32 48.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.565 1.146 . . . . 0.0 112.89 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -143.44 155.84 44.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -104.25 157.09 17.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -176.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -135.84 149.09 48.93 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.841 0.457 . . . . 0.0 111.027 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -126.29 132.7 51.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.603 1.161 . . . . 0.0 110.477 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -139.35 133.36 31.02 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -154.66 110.63 3.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.46 -122.65 30.62 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -172.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.9 t -85.88 -7.79 58.47 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.914 0.486 . . . . 0.0 111.595 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.2 tpp -67.38 135.75 53.69 Favored 'General case' 0 C--N 1.34 0.18 0 O-C-N 121.841 -0.537 . . . . 0.0 110.981 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -146.59 123.98 11.65 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.39 1.076 . . . . 0.0 109.144 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.3 t-105 -159.18 149.01 18.91 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 117.725 0.238 . . . . 0.0 110.556 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -126.13 128.52 47.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.617 0.767 . . . . 0.0 109.418 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.68 78.37 9.87 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.48 152.64 39.34 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.984 0.514 . . . . 0.0 110.121 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.2 t -66.9 146.52 54.31 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.993 0.517 . . . . 0.0 111.099 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -141.71 -159.75 1.0 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.405 0.682 . . . . 0.0 109.976 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.42 -49.94 23.92 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.925 0.89 . . . . 0.0 112.881 -174.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.99 -19.91 2.53 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -74.63 141.67 44.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -137.76 141.23 40.94 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 t -155.92 165.72 35.64 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.16 154.32 42.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -138.52 168.25 20.18 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.516 1.127 . . . . 0.0 110.54 177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.11 124.18 50.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.535 0.734 . . . . 0.0 109.72 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.2 m -100.03 132.33 45.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 170.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -110.63 148.3 14.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.46 154.24 46.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.62 142.24 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.258 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.68 145.24 34.67 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.056 0.543 . . . . 0.0 112.45 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.59 149.96 41.74 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.163 -0.335 . . . . 0.0 111.118 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.39 -22.22 66.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.708 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER . . . . . 0 C--O 1.233 0.215 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -58.61 133.03 55.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.32 8.68 87.04 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.768 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -57.89 131.73 51.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.712 1.256 . . . . 0.0 111.283 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 -8.04 80.73 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.024 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -101.65 105.01 15.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.886 0.843 . . . . 0.0 110.53 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.452 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.23 160.34 40.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.218 0.532 . . . . 0.0 110.697 176.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -147.69 144.63 28.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.532 -174.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.452 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -123.59 125.8 45.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.058 0.543 . . . . 0.0 109.602 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.68 158.77 3.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 122.915 0.486 . . . . 0.0 111.727 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -56.87 130.23 44.88 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.768 0.827 . . . . 0.0 109.613 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.65 -26.51 54.94 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.54 126.02 7.45 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.456 HG21 HG22 ' A' ' 29' ' ' VAL . 34.5 t -117.08 127.19 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -112.23 129.11 56.38 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 170.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -132.92 147.21 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.483 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.0 155.81 39.46 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.085 0.469 . . . . 0.0 110.152 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -72.59 127.07 31.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.912 -0.492 . . . . 0.0 109.964 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.82 3.12 59.43 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.6 -1.111 . . . . 0.0 115.128 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.59 -177.69 4.59 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.573 1.686 . . . . 0.0 111.525 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -105.89 167.96 9.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.1 p -153.9 156.38 5.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 124.76 1.224 . . . . 0.0 110.711 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.449 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.6 t60 -110.55 142.58 42.16 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.815 0.846 . . . . 0.0 109.644 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HG21 ' A' ' 19' ' ' VAL . 40.2 t -132.24 113.17 14.52 Favored Pre-proline 0 CA--C 1.527 0.066 0 C-N-CA 123.104 0.562 . . . . 0.0 110.848 177.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.73 136.43 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.663 2.242 . . . . 0.0 110.22 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.1 t -149.18 146.91 27.88 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.596 0.358 . . . . 0.0 110.154 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -146.96 155.94 42.67 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 123.442 0.697 . . . . 0.0 110.317 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -151.63 170.39 19.8 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.34 154.74 40.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.877 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -151.83 161.47 29.43 Favored Pre-proline 0 N--CA 1.454 -0.24 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.23 151.81 64.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.38 2.72 . . . . 0.0 111.781 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.21 35.9 0.87 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.189 0.596 . . . . 0.0 112.276 -176.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.79 155.79 45.39 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.86 3.93 79.53 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.942 -0.365 . . . . 0.0 112.244 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.7 p-90 -152.06 175.52 12.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.626 0.713 . . . . 0.0 111.221 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -143.63 161.74 37.73 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.12 -21.89 64.15 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -75.18 -23.16 57.68 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.978 -0.451 . . . . 0.0 111.669 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.07 120.39 69.89 Favored Pre-proline 0 C--N 1.339 0.129 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.625 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.44 153.9 45.06 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.371 2.047 . . . . 0.0 110.285 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.94 153.1 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -136.09 132.91 36.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.161 -0.337 . . . . 0.0 110.402 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 156.46 15.58 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -151.39 149.21 29.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -118.74 148.12 43.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.007 0.523 . . . . 0.0 112.374 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -146.48 154.67 41.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.723 0.809 . . . . 0.0 112.153 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 46.6 mtt180 -85.39 146.09 27.16 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.345 0 O-C-N 122.053 -0.404 . . . . 0.0 111.081 -177.13 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.28 154.33 65.78 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 123.185 2.59 . . . . 0.0 109.603 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -76.69 -20.41 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.73 147.48 13.61 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.009 0.524 . . . . 0.0 110.166 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.234 0.248 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 178.831 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.167 0 CA-C-O 119.945 -0.074 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -54.33 138.57 39.03 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.569 0.224 . . . . 0.0 110.715 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.4 -20.56 63.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -91.98 -5.79 52.4 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.038 -0.414 . . . . 0.0 111.402 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.406 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 4.2 p -117.43 3.52 12.5 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.037 0.935 . . . . 0.0 113.521 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.44 120.73 11.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -15.21 3.91 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.724 0.678 . . . . 0.0 112.993 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -88.48 -31.12 18.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.352 1.076 . . . . 0.0 111.214 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 8.4 m-85 -107.25 126.86 52.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.66 140.7 26.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.78 154.59 39.49 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.6 mt -131.36 170.9 14.01 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.017 0.927 . . . . 0.0 110.041 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.65 -177.66 53.72 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 123.018 0.342 . . . . 0.0 112.935 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.71 133.14 34.31 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.68 -40.85 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.631 0.772 . . . . 0.0 111.033 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.07 -5.99 58.81 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.556 0.342 . . . . 0.0 111.248 -175.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -99.59 9.66 42.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.34 0.656 . . . . 0.0 111.154 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 56.64 34.77 25.07 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 112.445 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -77.96 127.1 31.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 174.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.39 13.64 20.28 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.925 0.49 . . . . 0.0 111.093 175.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -52.88 150.0 5.84 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.001 0.521 . . . . 0.0 110.89 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.4 tp -135.71 149.38 49.21 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.435 -173.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.474 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.8 t -124.84 133.08 53.23 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.105 0.562 . . . . 0.0 109.845 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.09 137.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -130.29 153.34 48.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.25 41.69 30.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.54 143.3 30.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -171.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -139.41 162.83 34.08 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.447 1.099 . . . . 0.0 109.397 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.69 -16.3 25.81 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -82.51 -4.1 56.98 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.093 0.406 . . . . 0.0 111.887 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -92.21 -20.35 21.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -67.07 134.08 51.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.701 0.4 . . . . 0.0 110.119 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.69 -150.75 22.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 t -122.0 151.67 40.55 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 110.809 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.555 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.2 m-85 -138.39 157.43 46.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.514 1.126 . . . . 0.0 112.634 -175.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -143.58 154.55 43.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -100.51 158.1 16.17 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -137.24 150.27 47.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.921 0.391 . . . . 0.0 110.821 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.94 132.93 51.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.277 1.031 . . . . 0.0 110.08 -175.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.81 131.98 29.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 169.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -154.45 110.96 3.28 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -124.83 37.48 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 108.976 -1.649 . . . . 0.0 108.976 -172.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -83.3 -8.76 59.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.819 0.448 . . . . 0.0 112.113 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.8 tpp -66.43 136.86 56.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.304 0.502 . . . . 0.0 111.357 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -148.26 123.98 10.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.873 1.269 . . . . 0.0 109.364 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.8 t-105 -161.45 131.73 4.99 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.393 0.542 . . . . 0.0 111.445 175.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.4 m -101.55 129.82 47.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 172.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -80.99 78.21 7.83 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -146.96 148.06 31.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.342 0.657 . . . . 0.0 110.333 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.3 p -69.49 152.98 44.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.273 0.629 . . . . 0.0 111.908 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -142.79 -154.7 0.54 Allowed 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.306 1.042 . . . . 0.0 110.195 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.18 -51.65 17.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.723 1.609 . . . . 0.0 112.587 -176.159 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.94 -16.72 2.86 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.845 0.458 . . . . 0.0 112.155 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -77.11 141.03 40.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.322 1.231 . . . . 0.0 114.322 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.88 140.99 38.58 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 122.92 0.488 . . . . 0.0 110.118 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -156.51 165.16 37.1 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.469 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.6 tpmt? -72.11 154.32 41.16 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.262 1.025 . . . . 0.0 111.377 -175.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -138.62 169.42 17.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.39 1.076 . . . . 0.0 110.572 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.3 tp -117.08 121.79 42.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.528 0.731 . . . . 0.0 109.922 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -97.35 129.94 44.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.93 148.13 11.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 173.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.49 155.21 45.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -133.7 143.16 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 123.166 0.587 . . . . 0.0 110.041 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -142.2 146.32 35.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.57 150.43 38.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.016 -0.427 . . . . 0.0 110.749 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -63.83 -29.35 70.55 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.638 0.375 . . . . 0.0 110.206 175.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 0.8 OUTLIER . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 117.985 2.587 . . . . 0.0 117.985 174.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.89 133.92 55.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.44 11.02 85.73 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.898 -0.39 . . . . 0.0 113.059 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.1 130.51 42.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.491 1.145 . . . . 0.0 112.575 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.69 79.29 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.548 -0.585 . . . . 0.0 111.859 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -101.32 105.29 16.34 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.794 0.797 . . . . 0.0 110.074 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.44 160.99 38.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 110.545 176.657 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.28 147.19 31.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.519 0.728 . . . . 0.0 109.898 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.479 HE22 HD23 ' A' ' 12' ' ' LEU . 22.8 mp0 -127.35 125.11 40.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.367 0.667 . . . . 0.0 109.563 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.34 158.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.356 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -55.2 129.17 37.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 109.94 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -74.89 -28.38 60.62 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.22 124.37 6.86 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.981 0.419 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG21 HG22 ' A' ' 29' ' ' VAL . 37.3 t -114.02 126.66 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.3 p -112.04 127.67 55.96 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 169.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -131.74 145.94 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.03 157.46 38.17 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.08 -0.388 . . . . 0.0 110.384 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -72.91 128.88 36.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.719 -0.613 . . . . 0.0 110.272 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.41 65.98 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.888 -0.951 . . . . 0.0 115.206 174.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.23 178.91 6.08 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.329 1.565 . . . . 0.0 111.049 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.4 p -101.79 168.72 9.26 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -154.85 154.59 6.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.503 1.121 . . . . 0.0 110.44 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.446 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.7 t60 -108.68 142.99 38.36 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.334 1.053 . . . . 0.0 109.952 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.455 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -133.19 112.55 13.23 Favored Pre-proline 0 N--CA 1.456 -0.138 0 C-N-CA 123.004 0.522 . . . . 0.0 110.687 177.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.4 137.71 21.19 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.706 2.27 . . . . 0.0 110.115 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -150.27 143.64 25.06 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.784 0.434 . . . . 0.0 110.265 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -146.62 156.44 43.21 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.859 0.863 . . . . 0.0 110.338 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -152.03 173.01 15.41 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 t -149.1 155.35 40.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -152.03 160.73 31.06 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.85 151.87 61.61 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.549 2.833 . . . . 0.0 111.929 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -88.6 36.0 0.79 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.63 157.19 41.98 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.89 2.6 86.25 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.852 -0.416 . . . . 0.0 112.317 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -151.91 175.97 11.94 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.891 0.846 . . . . 0.0 111.144 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -145.72 164.33 32.16 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.2 -22.39 65.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.916 0.486 . . . . 0.0 111.067 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -76.46 -15.49 59.89 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.863 -0.523 . . . . 0.0 111.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -98.49 122.27 54.06 Favored Pre-proline 0 N--CA 1.455 -0.19 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.96 151.72 40.05 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 123.08 2.52 . . . . 0.0 110.771 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.15 152.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -135.98 128.16 29.92 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 122.056 -0.402 . . . . 0.0 110.994 174.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.36 154.64 17.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.83 148.38 29.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.654 0.782 . . . . 0.0 110.527 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -124.19 144.37 49.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.331 0.653 . . . . 0.0 112.734 174.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.19 161.58 39.91 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 37.6 mtm180 -88.63 152.36 21.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.237 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.86 159.19 54.24 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.685 2.923 . . . . 0.0 109.973 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.39 -21.44 12.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.1 146.92 14.42 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.79 0.436 . . . . 0.0 110.579 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.53 0.177 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.31 177.542 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.233 0.186 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -55.21 140.18 39.7 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 122.758 0.423 . . . . 0.0 110.92 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.33 -20.61 63.87 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.407 0.283 . . . . 0.0 111.698 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -90.71 -1.29 57.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.816 0.446 . . . . 0.0 111.4 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -127.57 5.61 6.2 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 119.66 9.41 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -176.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 -17.1 2.82 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.648 0.642 . . . . 0.0 113.238 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -85.7 -30.47 23.12 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.377 1.089 . . . . 0.0 111.109 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -107.18 128.11 54.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.09 142.4 26.24 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.73 153.86 39.86 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 94' ' ' SER . 19.1 mt -129.49 -16.69 3.84 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 111.839 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.52 151.79 38.5 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -74.78 138.19 42.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.94 -39.84 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.082 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -90.36 16.83 8.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.618 0.367 . . . . 0.0 111.447 -175.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -131.02 12.7 5.19 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.858 0.463 . . . . 0.0 111.437 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 55.02 31.3 15.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -91.25 133.39 35.44 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.464 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 3.6 p -113.44 16.14 18.94 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.907 0.883 . . . . 0.0 111.989 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.7 m -52.3 147.09 8.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.092 0.557 . . . . 0.0 111.685 -175.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.8 tp -134.21 152.42 51.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.856 0.863 . . . . 0.0 110.474 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.526 ' HB2' HD11 ' A' ' 83' ' ' LEU . 20.6 t -127.43 138.92 53.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.587 0.755 . . . . 0.0 109.788 172.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.2 137.37 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 171.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -128.78 148.64 50.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.15 53.5 11.62 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.42 142.71 42.96 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.44 162.33 33.96 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.945 0.898 . . . . 0.0 109.264 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.78 -15.95 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -84.45 -2.87 57.9 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.218 0.463 . . . . 0.0 111.407 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.09 -18.92 19.8 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -67.49 134.87 52.13 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.743 0.417 . . . . 0.0 109.985 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.0 -149.34 20.75 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.2 t -124.58 153.43 42.17 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.231 0.612 . . . . 0.0 110.827 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.488 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 52.9 m-85 -139.46 156.31 47.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.506 1.122 . . . . 0.0 113.273 -175.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -138.82 152.71 48.1 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.55 158.67 15.75 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -142.22 151.99 42.65 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.57 0.623 . . . . 0.0 110.986 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -125.17 138.1 54.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.341 1.056 . . . . 0.0 111.427 -171.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -141.04 134.54 29.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.757 0.823 . . . . 0.0 109.26 168.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -155.32 108.52 2.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.22 -123.35 33.17 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.2 m -83.66 -6.92 59.56 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.8 tpp -67.62 136.24 54.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.316 0.507 . . . . 0.0 111.175 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.27 121.26 8.8 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.818 1.247 . . . . 0.0 109.515 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -160.35 131.6 5.76 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 118.104 0.411 . . . . 0.0 110.881 174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -103.22 134.06 47.25 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -85.18 78.15 9.89 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -147.95 159.93 43.36 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 124.454 1.101 . . . . 0.0 109.181 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.3 p -80.59 153.83 27.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -138.06 -163.37 1.44 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.35 1.46 . . . . 0.0 110.11 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -49.73 4.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.356 1.462 . . . . 0.0 112.894 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -14.93 3.15 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -77.66 140.26 39.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.83 141.17 42.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.31 0.644 . . . . 0.0 110.663 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.18 164.94 38.13 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.1 154.18 41.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 111.28 -176.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -139.77 167.66 21.59 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.626 1.17 . . . . 0.0 110.658 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.22 122.38 46.6 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.249 0.619 . . . . 0.0 110.315 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.3 m -99.08 128.88 45.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.24 148.01 10.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 172.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.34 155.3 45.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -176.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -133.76 142.98 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.123 0.569 . . . . 0.0 110.094 -176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.84 146.17 35.53 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.251 0.62 . . . . 0.0 112.224 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.51 150.66 38.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.608 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.92 -19.4 65.91 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER . . . . . 0 CA--C 1.532 0.257 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.55 132.47 53.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.56 85.62 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 119.679 -0.512 . . . . 0.0 113.112 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.22 127.46 30.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.533 1.166 . . . . 0.0 111.914 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.64 -7.06 82.61 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.42 -0.656 . . . . 0.0 111.889 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -101.92 104.03 14.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 117.766 0.783 . . . . 0.0 110.25 175.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.459 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.47 160.56 39.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.742 177.209 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.35 147.04 30.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.724 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.459 HE22 HD23 ' A' ' 12' ' ' LEU . 23.0 mp0 -127.42 125.62 40.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.076 0.55 . . . . 0.0 109.921 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.409 ' H ' ' HG2' ' A' ' 128' ' ' LYS . 9.5 p -152.34 158.42 4.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 122.574 0.35 . . . . 0.0 111.19 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -53.48 131.22 37.88 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.988 0.915 . . . . 0.0 109.998 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.03 -29.9 60.93 Favored 'General case' 0 CA--C 1.523 -0.059 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -154.15 123.02 6.31 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.456 HG21 HG22 ' A' ' 29' ' ' VAL . 38.0 t -111.84 127.7 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.34 129.11 56.62 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 169.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -133.32 147.36 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.155 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.45 157.1 38.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.948 0.404 . . . . 0.0 110.396 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -73.92 129.43 37.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.619 -0.676 . . . . 0.0 110.089 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.44 1.02 60.8 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-O 118.755 -1.025 . . . . 0.0 114.837 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.36 179.29 6.12 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.406 1.603 . . . . 0.0 111.466 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -102.4 168.8 9.09 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.78 154.87 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.506 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.445 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.6 t60 -110.08 141.97 42.18 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.98 0.912 . . . . 0.0 109.873 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HG21 ' A' ' 19' ' ' VAL . 40.8 t -131.48 112.87 15.41 Favored Pre-proline 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 110.78 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.18 135.92 19.37 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 122.98 2.453 . . . . 0.0 110.149 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.7 t -148.69 142.92 26.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.909 0.484 . . . . 0.0 110.252 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -143.53 153.4 42.55 Favored 'General case' 0 CA--C 1.524 -0.022 0 C-N-CA 123.858 0.863 . . . . 0.0 110.916 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -149.8 171.41 16.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 118.362 0.528 . . . . 0.0 112.379 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 t -148.39 153.52 38.67 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.747 0.419 . . . . 0.0 110.816 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -154.55 160.57 30.79 Favored Pre-proline 0 CA--C 1.529 0.156 0 C-N-CA 124.06 0.944 . . . . 0.0 113.302 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -59.25 153.19 54.78 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.098 2.532 . . . . 0.0 111.849 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.494 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.28 14.29 3.03 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -92.88 150.38 20.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.29 6.12 86.51 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.244 -0.753 . . . . 0.0 113.531 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.494 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.4 p-90 -148.34 175.26 11.25 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.536 1.168 . . . . 0.0 111.752 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.49 162.55 35.52 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.64 -21.43 60.46 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -75.29 -14.62 60.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.872 0.469 . . . . 0.0 111.851 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -96.59 125.55 46.66 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.81 151.87 36.44 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.293 2.662 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.46 99.18 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -84.09 123.28 29.88 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.557 -0.715 . . . . 0.0 110.786 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.17 157.23 18.49 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -151.7 149.93 29.65 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -118.68 147.43 43.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.884 0.474 . . . . 0.0 111.911 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.47 152.5 45.69 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -77.1 137.98 39.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 O-C-N 122.033 -0.417 . . . . 0.0 110.741 -177.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.368 0.128 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.48 157.56 44.85 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.301 2.667 . . . . 0.0 109.872 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.4 -20.52 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.095 0 O-C-N 121.649 -0.657 . . . . 0.0 109.872 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.18 147.51 16.28 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.387 178.375 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 CA--C 1.529 0.159 0 N-CA-C 110.829 -0.063 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -54.97 144.25 23.8 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.647 0.379 . . . . 0.0 111.752 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.54 62.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -83.0 -7.13 59.7 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.081 0.4 . . . . 0.0 111.135 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.0 p -121.15 3.85 10.38 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.07 123.23 18.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -175.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.83 2.8 65.87 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.048 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -115.91 -28.37 6.69 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.245 1.023 . . . . 0.0 112.052 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.15 127.42 53.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.853 1.056 . . . . 0.0 113.853 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -146.83 142.42 27.67 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.99 154.39 39.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.313 0.645 . . . . 0.0 109.755 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.3 mt -132.33 172.18 12.77 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.051 0.94 . . . . 0.0 110.109 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.55 -175.74 54.82 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 121.141 0.301 . . . . 0.0 113.198 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.5 133.5 35.87 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.59 -38.04 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.465 0.706 . . . . 0.0 110.834 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -88.5 16.94 5.8 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.805 0.442 . . . . 0.0 111.112 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -130.81 14.94 5.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.264 0.626 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 55.83 35.37 25.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.729 0.811 . . . . 0.0 113.047 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -78.55 128.48 33.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.633 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 6.0 p -114.78 14.56 17.45 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.27 0.628 . . . . 0.0 111.2 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.5 m -54.03 150.64 7.75 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.223 0.609 . . . . 0.0 110.898 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -136.01 149.8 48.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.389 0.676 . . . . 0.0 110.716 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.471 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.5 t -125.28 136.42 53.5 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.197 0.599 . . . . 0.0 109.659 173.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.3 137.55 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -128.81 148.36 50.87 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 122.866 0.466 . . . . 0.0 109.846 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.25 53.12 11.23 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.09 45.25 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -137.84 163.63 30.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.197 0.999 . . . . 0.0 109.662 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.63 -15.7 31.04 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -82.36 -6.99 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.248 0.477 . . . . 0.0 111.509 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -90.0 -19.4 24.49 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 122.663 0.385 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -69.44 133.58 47.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.155 0.582 . . . . 0.0 109.953 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -150.46 22.24 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.96 152.66 42.25 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.802 0.441 . . . . 0.0 111.079 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -141.09 162.29 35.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.274 1.03 . . . . 0.0 111.606 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -144.06 156.64 44.45 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -101.65 157.37 16.88 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -137.79 148.07 45.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 110.883 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp -121.86 134.73 54.88 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.607 1.163 . . . . 0.0 109.794 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -140.13 130.21 24.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -154.19 108.6 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.21 -123.45 33.04 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 -172.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.5 t -83.77 -11.16 57.47 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -66.15 139.85 58.16 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 122.02 -0.425 . . . . 0.0 111.33 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -151.89 128.34 10.67 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 124.343 1.057 . . . . 0.0 108.701 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -161.56 129.48 4.2 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.217 0.462 . . . . 0.0 110.873 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.6 m -99.43 126.65 45.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -79.6 78.1 6.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -144.02 152.05 40.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.761 0.824 . . . . 0.0 109.355 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.5 p -69.88 154.68 41.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -146.05 -159.36 1.0 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.0 -49.34 16.15 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.123 0.969 . . . . 0.0 112.827 -174.441 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.31 -17.13 2.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.788 0.435 . . . . 0.0 112.166 176.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -76.01 143.81 41.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -138.09 141.3 40.24 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.409 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.72 166.72 32.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 15' ' ' VAL . 15.9 tppt? -72.86 154.71 40.48 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.649 1.18 . . . . 0.0 111.714 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -140.15 167.67 21.6 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 124.394 1.077 . . . . 0.0 110.635 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.7 tp -113.76 124.98 53.58 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.355 0.662 . . . . 0.0 110.293 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 65.6 m -100.96 131.43 46.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 170.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.19 148.22 13.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.575 0.35 . . . . 0.0 110.278 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.2 45.95 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.06 143.08 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.091 0.556 . . . . 0.0 110.48 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.5 t -142.42 145.34 33.7 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.95 150.99 40.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.138 -0.351 . . . . 0.0 110.709 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.75 -22.48 66.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.646 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER . . . . . 0 CA--C 1.533 0.327 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 172.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -58.04 133.99 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 11.77 85.18 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.808 -0.44 . . . . 0.0 112.906 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.33 131.91 46.77 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.513 1.157 . . . . 0.0 112.595 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 -8.18 77.37 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 119.613 -0.548 . . . . 0.0 112.239 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.13 102.44 13.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.835 0.818 . . . . 0.0 110.532 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -140.25 160.6 39.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.502 0.668 . . . . 0.0 110.654 177.081 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -147.57 145.55 29.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.363 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.453 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -124.95 127.08 46.49 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.23 157.53 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 122.63 0.372 . . . . 0.0 111.479 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -53.4 131.58 38.12 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.821 0.848 . . . . 0.0 110.135 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.65 -30.84 61.76 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -154.45 121.99 5.78 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.023 0.439 . . . . 0.0 109.86 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 29' ' ' VAL . 40.8 t -109.84 127.09 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -113.0 128.85 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 169.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -132.95 147.43 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.65 40.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 110.638 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -72.89 127.38 32.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.707 -0.62 . . . . 0.0 109.944 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.32 1.65 59.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.683 -1.065 . . . . 0.0 115.107 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.92 178.51 6.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.403 1.601 . . . . 0.0 111.614 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.7 p -102.08 168.53 9.32 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -175.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -154.4 156.68 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 C-N-CA 124.434 1.094 . . . . 0.0 110.911 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.444 ' CE1' HD13 ' A' ' 83' ' ' LEU . 7.0 t60 -110.44 143.34 40.88 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.135 0.974 . . . . 0.0 109.804 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 19' ' ' VAL . 40.6 t -132.31 112.46 14.28 Favored Pre-proline 0 N--CA 1.457 -0.123 0 C-N-CA 123.259 0.624 . . . . 0.0 110.701 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.3 135.05 18.04 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.825 2.35 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -147.98 147.59 29.81 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.889 0.475 . . . . 0.0 109.997 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 t -147.67 155.81 42.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.349 0.66 . . . . 0.0 110.654 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -151.58 169.76 21.31 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.6 t -146.93 154.2 40.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -152.66 161.02 30.33 Favored Pre-proline 0 N--CA 1.455 -0.178 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.26 151.15 61.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.571 2.848 . . . . 0.0 111.772 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.16 36.31 0.87 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -130.03 156.56 44.28 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.76 2.88 84.03 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.797 -0.446 . . . . 0.0 112.269 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -151.3 175.69 11.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 117.736 0.768 . . . . 0.0 110.734 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -145.58 163.52 34.52 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -61.5 -21.78 64.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.115 0.566 . . . . 0.0 112.089 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -76.57 -17.03 59.44 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -97.89 120.38 60.26 Favored Pre-proline 0 N--CA 1.457 -0.113 0 C-N-CA 122.529 0.332 . . . . 0.0 110.841 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.36 153.05 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.55 2.167 . . . . 0.0 110.535 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.5 152.43 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -136.21 130.53 33.27 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.697 0.284 . . . . 0.0 110.48 171.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 157.09 15.88 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -150.93 146.03 26.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -115.91 147.86 40.65 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.152 0.581 . . . . 0.0 111.919 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.1 150.71 43.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -76.65 137.67 39.58 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 O-C-N 122.034 -0.416 . . . . 0.0 110.294 -178.328 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.64 157.35 55.99 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.55 2.833 . . . . 0.0 109.824 175.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.48 -21.2 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 CA-C-N 118.075 0.398 . . . . 0.0 110.126 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.61 145.78 14.54 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.332 -0.155 0 C-N-CA 122.292 0.237 . . . . 0.0 111.002 178.175 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.231 0.117 0 N-CA-C 111.441 0.163 . . . . 0.0 111.441 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -54.13 140.92 30.65 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.662 0.385 . . . . 0.0 111.392 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.47 -24.35 62.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -83.01 -7.13 59.7 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 117.918 0.326 . . . . 0.0 110.762 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.434 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.6 p -123.3 4.47 9.13 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -62.56 121.49 13.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.84 -6.99 23.27 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.355 -0.692 . . . . 0.0 113.34 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.7 mtm105 -102.27 -28.02 12.51 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.556 1.178 . . . . 0.0 111.91 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.5 m-85 -105.59 127.87 53.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.25 139.33 25.72 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.69 154.39 39.68 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.598 0.759 . . . . 0.0 109.586 175.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.3 172.66 12.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.131 0.972 . . . . 0.0 110.2 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.87 52.44 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 121.09 0.272 . . . . 0.0 113.275 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.44 132.91 33.84 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.42 -40.07 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.56 0.744 . . . . 0.0 111.111 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -82.81 -4.36 57.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 122.441 0.297 . . . . 0.0 111.059 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -101.7 10.16 40.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.42 0.688 . . . . 0.0 111.308 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 56.72 33.87 23.63 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -79.0 127.64 32.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.13 -0.356 . . . . 0.0 111.447 175.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . 0.47 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.9 p -112.25 13.84 20.47 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 122.97 0.508 . . . . 0.0 111.013 175.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.9 m -53.2 150.64 5.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.252 0.621 . . . . 0.0 110.989 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.3 tp -136.59 150.52 48.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 -173.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.6 t -126.93 135.23 50.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.071 0.548 . . . . 0.0 109.874 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.64 138.5 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -127.8 147.28 50.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 47.68 51.57 13.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.85 143.51 36.95 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.696 0.398 . . . . 0.0 112.064 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -137.51 161.15 37.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 124.725 1.21 . . . . 0.0 109.714 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.02 -14.68 17.48 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -85.63 -5.78 59.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.157 0.435 . . . . 0.0 111.74 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -90.68 -18.79 24.46 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -67.36 134.84 52.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.278 0.631 . . . . 0.0 109.922 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.08 -151.33 23.14 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.7 152.77 41.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 117.202 0.501 . . . . 0.0 111.146 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -141.28 160.29 40.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.3 1.04 . . . . 0.0 111.5 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -142.54 158.0 44.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -103.45 160.28 14.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -140.59 149.88 42.92 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.167 0.439 . . . . 0.0 110.856 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -124.99 133.62 52.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.538 1.135 . . . . 0.0 110.072 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -140.13 132.17 27.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -154.25 111.1 3.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.61 -124.01 34.64 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.8 t -83.18 -11.85 57.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.016 0.527 . . . . 0.0 111.784 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.2 tpp -64.51 136.95 57.57 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.504 -0.748 . . . . 0.0 111.428 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -147.34 125.0 11.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.909 1.284 . . . . 0.0 109.676 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -159.41 135.93 9.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.046 0.384 . . . . 0.0 110.966 173.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -108.12 127.69 54.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.0 0.92 . . . . 0.0 109.579 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -83.1 78.33 9.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -176.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -145.33 153.42 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 122.917 0.487 . . . . 0.0 109.982 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -69.15 153.08 44.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.701 0.286 . . . . 0.0 110.896 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -143.68 -160.57 1.13 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.399 0.68 . . . . 0.0 109.421 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.2 -48.99 23.72 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.1 0.96 . . . . 0.0 113.076 -174.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.86 -16.75 2.88 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -76.01 141.8 42.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.49 141.39 39.41 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 122.922 0.489 . . . . 0.0 110.081 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.72 166.19 34.26 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -72.73 155.42 39.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.27 1.028 . . . . 0.0 111.81 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -139.38 166.72 23.82 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.367 1.067 . . . . 0.0 110.342 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -113.78 124.58 52.59 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.485 0.714 . . . . 0.0 110.346 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 64.8 m -101.18 130.75 47.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.71 148.34 11.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 122.71 0.404 . . . . 0.0 110.154 173.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.18 155.2 45.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 47.6 t -134.85 142.8 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.038 0.535 . . . . 0.0 110.394 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.52 146.79 36.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.95 151.2 38.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.03 -0.419 . . . . 0.0 110.7 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.91 -21.75 66.87 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 173.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER . . . . . 0 CA--C 1.533 0.289 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 172.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.472 0.658 0 CA-C-O 120.585 0.231 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -70.32 149.9 46.9 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 122.243 -0.286 . . . . 0.0 110.42 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.71 -0.15 72.03 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.658 -0.523 . . . . 0.0 112.852 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -66.46 156.65 34.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -155.3 172.61 17.91 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.097 0.559 . . . . 0.0 110.228 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -73.13 143.09 47.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.515 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.56 130.92 48.54 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 172.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.12 10.8 85.23 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.068 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -58.46 132.86 54.99 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.572 1.186 . . . . 0.0 110.419 176.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.63 -8.35 79.94 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.65 -0.528 . . . . 0.0 112.04 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -101.85 106.7 17.71 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 117.646 0.723 . . . . 0.0 109.833 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -142.28 161.36 38.21 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.107 0.479 . . . . 0.0 110.658 176.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -146.91 145.72 29.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.599 -175.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 12' ' ' LEU . 21.7 mp0 -128.1 131.0 49.05 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -152.76 158.23 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.024 0.529 . . . . 0.0 110.373 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -54.7 127.18 27.02 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.72 -28.17 61.57 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -173.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.1 tp -153.24 122.37 6.57 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-O 120.953 0.406 . . . . 0.0 109.906 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.508 HG21 HG22 ' A' ' 29' ' ' VAL . 42.7 t -111.39 127.2 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 178.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.305 1.1 p -113.89 128.04 56.23 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 169.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.92 147.88 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.427 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.28 155.82 39.78 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.033 0.444 . . . . 0.0 110.628 176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.18 128.81 36.55 Favored 'General case' 0 N--CA 1.449 -0.522 0 O-C-N 121.442 -0.786 . . . . 0.0 109.992 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.13 59.21 Favored Glycine 0 CA--C 1.531 1.06 0 CA-C-O 118.62 -1.1 . . . . 0.0 114.675 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.92 179.7 5.92 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.618 1.709 . . . . 0.0 111.426 176.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 86.0 p -102.09 169.0 9.02 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.92 148.8 12.68 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 C-N-CA 124.305 1.042 . . . . 0.0 110.535 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.446 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.9 t60 -100.92 143.76 30.69 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.654 0.782 . . . . 0.0 109.565 178.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.508 HG22 HG21 ' A' ' 19' ' ' VAL . 47.6 t -132.21 112.17 14.35 Favored Pre-proline 0 N--CA 1.456 -0.173 0 C-N-CA 123.147 0.579 . . . . 0.0 110.534 177.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -75.39 136.3 19.45 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.75 2.3 . . . . 0.0 110.393 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.466 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -148.78 147.5 28.87 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.747 0.419 . . . . 0.0 110.164 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -147.73 155.72 42.01 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.487 0.715 . . . . 0.0 110.622 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -150.88 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.101 0 CA-C-O 121.036 0.446 . . . . 0.0 112.176 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 t -148.67 153.55 38.43 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 122.583 0.353 . . . . 0.0 111.192 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -153.19 158.48 32.8 Favored Pre-proline 0 CA--C 1.53 0.2 0 C-N-CA 124.536 1.134 . . . . 0.0 113.167 -174.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -64.12 155.38 65.22 Favored 'Trans proline' 0 N--CA 1.455 -0.784 0 C-N-CA 123.011 2.474 . . . . 0.0 110.69 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.3 pt20 -82.29 17.41 1.69 Allowed 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.619 0.599 . . . . 0.0 112.619 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -94.5 152.86 18.23 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.65 2.95 89.86 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.181 -0.789 . . . . 0.0 114.35 174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.0 p-90 -150.3 176.1 11.19 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.596 1.198 . . . . 0.0 111.368 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -144.68 161.52 38.98 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -60.79 -22.46 64.13 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.1 t -74.73 -22.4 58.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 122.086 -0.384 . . . . 0.0 111.59 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -90.47 120.76 68.95 Favored Pre-proline 0 C--O 1.232 0.153 0 C-N-CA 122.896 0.479 . . . . 0.0 111.979 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -75.05 152.99 41.19 Favored 'Trans proline' 0 N--CA 1.45 -1.03 0 C-N-CA 123.088 2.525 . . . . 0.0 110.372 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.55 152.94 6.28 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.118 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.439 ' CD2' HD22 ' A' ' 67' ' ' ASN . 27.4 m80 -136.27 131.93 35.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.63 0.253 . . . . 0.0 110.669 171.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 156.99 15.93 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -150.07 146.41 26.93 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.55 -0.908 . . . . 0.0 108.55 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -120.59 147.75 44.79 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.27 0.628 . . . . 0.0 111.861 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -144.61 153.57 41.92 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.056 0.542 . . . . 0.0 110.564 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -75.19 147.39 40.44 Favored 'General case' 0 N--CA 1.457 -0.08 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.57 138.76 56.64 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 121.988 -0.445 . . . . 0.0 110.34 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.77 -7.27 81.71 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.972 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -68.84 159.88 31.66 Favored 'General case' 0 C--O 1.231 0.111 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -111.77 97.81 38.89 Favored Pre-proline 0 N--CA 1.455 -0.19 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 173.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -69.88 -10.21 27.93 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 123.169 2.58 . . . . 0.0 111.96 -174.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.509 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 7.7 m-85 -90.24 -6.75 54.86 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -136.6 8.45 3.08 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 118.777 0.717 . . . . 0.0 112.672 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -152.01 164.42 37.24 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.87 151.32 63.86 Favored Pre-proline 0 CA--C 1.531 0.235 0 C-N-CA 123.071 0.548 . . . . 0.0 111.39 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.9 160.35 46.19 Favored 'Trans proline' 0 N--CA 1.452 -0.915 0 C-N-CA 123.652 2.902 . . . . 0.0 109.904 173.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.0 m -79.16 -20.6 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.062 0 O-C-N 122.083 -0.386 . . . . 0.0 110.056 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.12 145.91 13.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.841 0.456 . . . . 0.0 109.8 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -159.2 157.44 30.79 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.727 0.298 . . . . 0.0 111.637 178.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -88.77 -4.37 58.53 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 123.108 0.563 . . . . 0.0 111.886 174.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.439 HD22 ' CD2' ' A' ' 47' ' ' HIS . 1.5 m120 -63.41 138.37 97.34 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 118.006 0.366 . . . . 0.0 111.204 177.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.51 -21.92 9.75 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.307 2.671 . . . . 0.0 111.619 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -109.2 -26.04 10.3 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 116.534 2.049 . . . . 0.0 116.534 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -72.91 136.68 45.27 Favored 'General case' 0 C--N 1.334 -0.108 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -81.69 173.51 12.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.6 m -134.6 162.6 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.047 0 C-N-CA 122.714 0.406 . . . . 0.0 111.79 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -55.19 140.34 39.01 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 122.791 0.437 . . . . 0.0 111.143 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -25.03 63.36 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.683 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -82.67 -5.72 59.0 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.003 0.365 . . . . 0.0 110.852 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.452 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.0 p -125.12 5.97 7.88 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.56 119.87 9.45 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.26 -13.38 4.72 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.49 -0.617 . . . . 0.0 113.366 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -90.67 -28.97 18.01 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.47 1.135 . . . . 0.0 111.349 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -106.88 127.42 53.41 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -146.46 142.3 27.98 Favored 'General case' 0 C--N 1.339 0.136 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.76 154.41 39.59 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.474 0.709 . . . . 0.0 109.75 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 94' ' ' SER . 15.4 mt -132.54 172.98 11.81 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.967 0.907 . . . . 0.0 110.346 -178.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.75 -176.79 52.45 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-N 116.564 -0.289 . . . . 0.0 112.583 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -88.5 141.26 28.68 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 114.789 1.403 . . . . 0.0 114.789 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.0 mt -67.52 -40.93 85.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.026 -178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.2 m95 -82.13 -6.96 59.58 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.74 0.416 . . . . 0.0 111.073 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.9 t -97.04 7.71 46.05 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.376 0.67 . . . . 0.0 111.462 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.91 33.27 22.94 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.242 0.617 . . . . 0.0 112.452 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -79.19 127.44 32.04 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.121 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.466 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -111.43 13.64 21.49 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 122.834 0.454 . . . . 0.0 111.03 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.68 149.6 5.94 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.31 0.644 . . . . 0.0 111.033 -175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.9 tp -134.75 151.1 50.72 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.568 -173.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.493 ' HB2' HD11 ' A' ' 83' ' ' LEU . 16.5 t -125.99 136.53 53.09 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 123.406 0.682 . . . . 0.0 109.862 173.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.57 137.52 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 172.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -127.17 147.96 50.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.666 0.386 . . . . 0.0 110.156 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.78 52.49 12.69 Favored 'General case' 0 CA--C 1.529 0.151 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 142.31 42.21 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -174.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -137.88 161.71 35.91 Favored 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 124.399 1.08 . . . . 0.0 109.664 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.55 -15.21 16.75 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -173.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.09 -4.46 59.16 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.301 0.5 . . . . 0.0 111.663 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -94.28 -17.82 22.26 Favored 'General case' 0 N--CA 1.461 0.103 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.1 ttpp -67.93 134.69 51.22 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.37 -148.94 20.3 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.6 t -125.47 153.49 43.45 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 122.778 0.431 . . . . 0.0 110.828 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -140.73 161.1 38.59 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.369 1.068 . . . . 0.0 111.56 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -144.44 156.24 44.11 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 176.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -104.9 160.35 15.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.1 ttt85 -140.61 150.9 44.18 Favored 'General case' 0 N--CA 1.461 0.084 0 CA-C-N 118.263 0.483 . . . . 0.0 110.502 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.2 tp -124.52 133.43 53.33 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.342 1.057 . . . . 0.0 110.321 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -139.03 131.22 28.18 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 169.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -153.62 110.99 3.48 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.82 -123.78 34.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 108.537 -1.825 . . . . 0.0 108.537 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.7 t -84.81 -7.68 59.1 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.717 0.407 . . . . 0.0 111.717 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.4 tpp -66.93 136.92 56.1 Favored 'General case' 0 N--CA 1.457 -0.103 0 O-C-N 121.724 -0.61 . . . . 0.0 111.142 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -149.51 123.99 9.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.899 1.28 . . . . 0.0 109.372 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.432 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 64.5 t-105 -161.93 128.6 3.77 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.392 0.542 . . . . 0.0 111.433 174.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 75.1 m -95.44 129.07 42.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 172.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -82.06 78.11 8.79 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -148.4 166.01 29.37 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.3 p -76.85 158.19 30.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.349 0.595 . . . . 0.0 112.436 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.413 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 1.6 mp0 -142.16 -163.94 1.7 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.228 1.411 . . . . 0.0 109.707 177.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.417 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -44.74 -49.48 10.56 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 124.939 1.296 . . . . 0.0 112.862 -176.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.68 -15.9 3.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -77.87 139.12 39.24 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -136.55 141.25 43.35 Favored 'General case' 0 CA--C 1.522 -0.128 0 C-N-CA 123.094 0.558 . . . . 0.0 110.266 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -153.24 163.56 39.68 Favored 'General case' 0 C--O 1.23 0.05 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 128' ' ' LYS . 21.5 ttmm -75.97 157.76 32.74 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.579 0.752 . . . . 0.0 111.811 -175.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -138.2 169.98 16.83 Favored 'General case' 0 C--N 1.34 0.171 0 C-N-CA 124.473 1.109 . . . . 0.0 110.963 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.5 tp -114.37 124.54 52.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.798 0.839 . . . . 0.0 110.042 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.2 m -102.81 129.59 49.52 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.14 148.24 11.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 122.6 0.36 . . . . 0.0 110.277 173.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.82 155.09 45.58 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 -176.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.8 t -134.91 143.05 38.52 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.102 0 C-N-CA 123.021 0.529 . . . . 0.0 110.371 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.56 147.42 37.68 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.69 151.3 37.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 122.08 -0.387 . . . . 0.0 111.046 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.591 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.17 -20.41 66.43 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 173.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.325 1.2 t 54.32 11.87 0.44 Allowed 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 117.4 2.37 . . . . 0.0 117.4 172.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.33 19.1 1.73 Allowed 'General case' 0 CA--C 1.53 0.18 0 O-C-N 121.729 -0.607 . . . . 0.0 111.787 -178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -179.84 -171.76 43.11 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 70.6 m -138.93 16.26 2.66 Favored 'General case' 0 N--CA 1.46 0.075 0 C-N-CA 122.941 0.497 . . . . 0.0 112.272 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 63.1 mt 59.59 13.83 3.6 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 144' ' ' PRO . 57.7 t -69.43 139.57 89.46 Favored Pre-proline 0 CA--C 1.531 0.248 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 143' ' ' VAL . 52.1 Cg_exo -57.11 160.68 12.36 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 123.754 2.969 . . . . 0.0 112.733 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 117.556 -1.212 . . . . 0.0 110.385 -179.597 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.509 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.432 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptp . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -76.81 -8.07 56.63 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.018 0.527 . . . . 0.0 111.72 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.23 -169.96 52.62 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.763 -0.535 . . . . 0.0 111.763 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 60.54 169.51 0.09 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -178.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -154.6 169.81 22.98 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.415 0.686 . . . . 0.0 110.167 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.64 139.81 58.8 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.118 0.567 . . . . 0.0 109.919 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.01 133.27 54.8 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 172.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.08 12.07 84.98 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.007 -178.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.93 130.7 42.39 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.548 1.174 . . . . 0.0 112.612 175.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.26 -8.29 80.07 Favored Glycine 0 CA--C 1.525 0.687 0 CA-C-O 119.636 -0.536 . . . . 0.0 112.289 178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.34 107.29 18.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 117.558 0.679 . . . . 0.0 109.618 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.435 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -142.8 160.88 39.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.23 0.538 . . . . 0.0 110.557 175.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -146.49 147.18 30.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.224 0.609 . . . . 0.0 110.144 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.435 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -131.4 128.85 40.42 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.332 0.653 . . . . 0.0 109.247 178.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -152.49 159.59 3.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 C-N-CA 123.128 0.571 . . . . 0.0 110.43 -178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -55.62 129.18 38.03 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 173.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.5 mp0 -78.1 -25.68 47.67 Favored 'General case' 0 C--O 1.231 0.079 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -172.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.0 tp -153.42 123.38 6.9 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.505 HG21 HG22 ' A' ' 29' ' ' VAL . 40.2 t -113.3 128.89 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -114.43 129.72 56.67 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 169.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.2 p -134.17 148.2 30.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.498 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.09 155.95 39.73 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 121.892 -0.505 . . . . 0.0 110.308 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -73.88 128.07 34.54 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.931 -0.481 . . . . 0.0 110.147 176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.76 2.34 58.53 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 118.847 -0.974 . . . . 0.0 114.842 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.41 -179.4 5.49 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.43 1.615 . . . . 0.0 111.693 176.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.4 p -103.37 168.21 9.31 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -175.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -154.73 148.81 12.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 124.615 1.166 . . . . 0.0 110.643 178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.436 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -101.56 142.95 32.15 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 123.607 0.763 . . . . 0.0 109.984 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.505 HG22 HG21 ' A' ' 19' ' ' VAL . 47.5 t -131.61 111.66 15.01 Favored Pre-proline 0 C--O 1.232 0.159 0 C-N-CA 123.013 0.525 . . . . 0.0 110.696 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.34 137.12 20.58 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.853 2.369 . . . . 0.0 110.061 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -149.39 144.07 26.15 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.187 0.595 . . . . 0.0 110.169 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.9 m -144.84 153.63 41.81 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.832 0.853 . . . . 0.0 110.346 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -151.39 171.77 16.98 Favored 'General case' 0 C--N 1.339 0.113 0 O-C-N 121.881 -0.512 . . . . 0.0 111.61 179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.7 t -148.13 155.03 40.96 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -152.23 161.48 29.25 Favored Pre-proline 0 N--CA 1.454 -0.256 0 C-N-CA 124.222 1.009 . . . . 0.0 113.7 -175.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -58.78 151.73 62.03 Favored 'Trans proline' 0 N--CA 1.455 -0.772 0 C-N-CA 123.232 2.621 . . . . 0.0 111.972 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.26 35.99 0.87 Allowed 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.533 0.733 . . . . 0.0 112.558 -176.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.8 t0 -130.43 156.83 44.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.61 4.06 83.3 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.934 -0.37 . . . . 0.0 112.373 -177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -152.12 175.74 12.26 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 117.689 0.745 . . . . 0.0 110.951 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 t -144.89 164.02 32.35 Favored 'General case' 0 C--O 1.231 0.123 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -63.28 -20.3 65.35 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.886 0.474 . . . . 0.0 110.705 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.6 m -77.55 -15.98 58.93 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.64 120.74 56.73 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-O 119.107 -0.473 . . . . 0.0 111.497 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -74.51 152.82 43.87 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.916 2.411 . . . . 0.0 110.448 177.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -75.38 153.04 6.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.426 ' CD2' HD22 ' A' ' 67' ' ' ASN . 27.0 m80 -136.18 130.18 32.82 Favored 'General case' 0 N--CA 1.453 -0.292 0 O-C-N 122.081 -0.387 . . . . 0.0 110.486 172.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.45 157.09 15.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -149.95 151.5 33.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 68.1 m95 -127.19 148.29 50.19 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 123.459 0.703 . . . . 0.0 111.661 173.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -149.3 157.44 43.34 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 56.7 mtt-85 -74.88 152.11 38.91 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.68 138.09 57.21 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.119 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.79 -7.78 81.15 Favored Glycine 0 CA--C 1.532 1.139 0 CA-C-O 119.49 -0.617 . . . . 0.0 112.884 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -70.74 162.07 29.74 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 118.482 1.141 . . . . 0.0 114.059 176.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -114.87 97.68 48.09 Favored Pre-proline 0 CA--C 1.529 0.149 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.89 -8.14 22.67 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.696 2.931 . . . . 0.0 112.894 -172.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.548 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 8.2 m-85 -83.53 -6.05 59.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -176.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -153.39 -22.01 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -80.2 155.8 27.22 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.396 0.544 . . . . 0.0 110.915 175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.0 142.13 59.54 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.94 156.76 55.97 Favored 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 122.808 2.339 . . . . 0.0 109.461 175.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -77.62 -21.55 13.99 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.278 -0.569 . . . . 0.0 109.733 173.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.82 145.04 13.76 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 122.929 0.491 . . . . 0.0 110.033 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t -159.43 156.46 28.41 Favored 'General case' 0 N--CA 1.461 0.097 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -90.05 -2.24 58.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.328 0.651 . . . . 0.0 111.811 175.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.426 HD22 ' CD2' ' A' ' 47' ' ' HIS . 1.4 m120 -64.52 140.33 97.97 Favored Pre-proline 0 CA--C 1.528 0.106 0 O-C-N 122.027 -0.421 . . . . 0.0 111.44 177.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -78.1 -22.45 9.91 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.263 2.642 . . . . 0.0 111.61 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -110.95 -25.56 9.75 Favored 'General case' 0 C--N 1.34 0.185 0 N-CA-C 116.611 2.078 . . . . 0.0 116.611 -174.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -73.73 136.0 43.65 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.7 pm0 -76.06 179.86 5.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.687 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m -140.41 159.77 25.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 C-N-CA 123.565 0.746 . . . . 0.0 111.39 173.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.0 mm-40 -54.49 141.77 29.84 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.898 0.38 . . . . 0.0 111.418 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.22 -24.12 62.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.373 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -84.17 -4.38 58.77 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.377 -0.202 . . . . 0.0 111.185 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.442 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.4 p -125.98 6.01 7.26 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 114.385 1.254 . . . . 0.0 114.385 178.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.08 119.59 8.63 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -175.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.79 -14.2 4.7 Favored Glycine 0 CA--C 1.533 1.163 0 CA-C-O 119.235 -0.758 . . . . 0.0 113.134 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.5 mtm105 -89.39 -27.04 20.7 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.446 1.123 . . . . 0.0 111.616 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.442 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.9 m-85 -110.3 128.34 55.48 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 176.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -147.29 142.85 27.61 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.3 mp -73.96 154.4 39.35 Favored 'General case' 0 C--N 1.34 0.157 0 C-N-CA 123.763 0.825 . . . . 0.0 109.894 175.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -132.6 176.14 8.7 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 124.241 1.016 . . . . 0.0 110.536 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.19 -178.68 51.19 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 121.156 0.309 . . . . 0.0 112.876 175.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -88.08 132.09 34.43 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.86 -39.14 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.603 0.761 . . . . 0.0 111.165 -178.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -84.15 -6.52 59.41 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.396 0.278 . . . . 0.0 110.855 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 t -97.57 10.65 39.32 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 56.62 34.35 24.32 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.138 0.575 . . . . 0.0 112.327 -175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -79.68 126.99 31.63 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.865 -0.522 . . . . 0.0 111.955 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.479 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.03 14.73 20.8 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.058 0.543 . . . . 0.0 110.819 175.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 m -53.96 151.09 7.06 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.188 0.595 . . . . 0.0 111.017 -175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 31.7 tp -136.23 151.15 49.38 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.426 -174.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.9 t -126.07 134.01 51.52 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.275 0.63 . . . . 0.0 109.584 173.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.35 136.43 40.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 171.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -128.48 152.51 48.16 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 52.84 41.55 31.8 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.71 144.23 27.87 Favored 'General case' 0 C--N 1.342 0.265 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -171.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.39 162.16 35.98 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 124.96 1.304 . . . . 0.0 109.295 178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -59.8 -14.55 15.3 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -173.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -83.86 -2.35 56.24 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.861 0.464 . . . . 0.0 111.794 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -96.17 -18.08 20.36 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 118.374 0.533 . . . . 0.0 109.677 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.18 133.96 50.8 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -149.2 20.76 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.4 t -125.81 153.28 44.29 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 116.976 0.388 . . . . 0.0 110.846 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.444 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 63.2 m-85 -140.89 160.17 40.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.32 1.048 . . . . 0.0 111.489 -176.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.2 p90 -141.26 155.82 45.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 174.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -101.68 160.37 14.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -141.73 150.6 42.02 Favored 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 118.222 0.465 . . . . 0.0 110.817 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -123.55 132.31 53.86 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.284 1.033 . . . . 0.0 110.254 -175.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -138.85 131.07 28.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 169.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -154.11 111.94 3.51 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.06 -123.81 34.22 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 109.004 -1.638 . . . . 0.0 109.004 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 72.1 m -85.17 -7.04 59.24 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.002 0.521 . . . . 0.0 112.323 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.0 tpp -68.84 136.2 52.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 118.209 0.459 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.52 122.84 10.28 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.666 1.186 . . . . 0.0 109.182 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.463 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.5 t-105 -160.16 135.09 7.81 Favored 'General case' 0 N--CA 1.456 -0.135 0 CA-C-N 118.02 0.373 . . . . 0.0 110.555 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.4 t -106.64 135.01 48.91 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.115 0.566 . . . . 0.0 109.481 175.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -86.52 78.45 9.2 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -149.02 161.88 41.04 Favored 'General case' 0 C--O 1.226 -0.147 0 C-N-CA 124.223 1.009 . . . . 0.0 109.678 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.4 t -80.27 147.26 31.25 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -176.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -135.63 -164.6 1.57 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.567 1.547 . . . . 0.0 110.461 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.29 -50.5 6.57 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.942 1.297 . . . . 0.0 113.005 -176.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.52 -15.17 3.19 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -80.63 136.5 36.23 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 176.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -134.78 141.17 46.38 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.367 0.53 . . . . 0.0 110.004 -175.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.5 t -153.85 162.13 41.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 114.507 1.299 . . . . 0.0 114.507 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -76.64 155.98 33.03 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.821 0.848 . . . . 0.0 111.905 -174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -136.62 171.94 13.75 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.323 1.049 . . . . 0.0 111.225 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.6 tp -114.45 123.88 50.53 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.732 0.813 . . . . 0.0 109.764 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 62.8 m -101.36 129.9 47.44 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.7 t -107.02 148.4 11.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 173.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.25 155.1 46.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 -177.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.8 t -134.95 142.59 39.76 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 C-N-CA 123.217 0.607 . . . . 0.0 110.178 -176.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.35 146.35 36.56 Favored 'General case' 0 C--O 1.227 -0.12 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.01 150.92 38.81 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.716 -0.615 . . . . 0.0 110.724 -178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.29 65.77 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 172.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.2 t 53.94 18.12 1.55 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 174.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -145.91 173.48 12.1 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.8 -0.563 . . . . 0.0 109.907 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 77.26 -171.88 55.15 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.667 -0.573 . . . . 0.0 111.667 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 98.6 p -155.68 169.18 24.93 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.191 0.596 . . . . 0.0 110.139 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 75.0 mt -74.97 -4.22 36.93 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.801 0.441 . . . . 0.0 111.896 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.27 137.41 89.06 Favored Pre-proline 0 N--CA 1.455 -0.218 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.25 152.45 81.05 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.203 2.602 . . . . 0.0 111.364 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 . . . . . 0 C--O 1.252 1.2 0 CA-C-O 117.698 -1.144 . . . . 0.0 110.236 -177.009 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.548 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.463 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.451 0.167 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 37.2 tp10 -68.23 148.87 50.22 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.617 0.367 . . . . 0.0 110.648 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -154.3 46.81 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -142.4 166.15 25.46 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -153.91 170.14 21.76 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.06 0.544 . . . . 0.0 110.199 -179.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -65.04 139.39 58.74 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 123.153 0.581 . . . . 0.0 109.853 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -57.68 135.33 56.72 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 172.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.5 9.45 86.84 Favored Glycine 0 CA--C 1.53 1.022 0 CA-C-O 119.614 -0.548 . . . . 0.0 112.815 -177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -55.27 131.95 46.7 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.504 1.152 . . . . 0.0 112.506 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.19 -8.63 79.4 Favored Glycine 0 CA--C 1.525 0.709 0 CA-C-O 119.46 -0.633 . . . . 0.0 111.854 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.55 106.93 18.49 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 117.668 0.734 . . . . 0.0 109.991 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -143.09 160.98 39.37 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.414 0.626 . . . . 0.0 110.64 175.691 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.88 147.23 30.6 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.576 -174.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.424 HE22 HD23 ' A' ' 12' ' ' LEU . 21.2 mp0 -129.58 130.78 46.12 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.3 p -152.65 159.89 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.919 0.488 . . . . 0.0 110.237 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.97 127.59 29.6 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 173.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -75.0 -27.04 59.98 Favored 'General case' 0 N--CA 1.458 -0.069 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.7 tp -154.24 123.35 6.41 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.511 HG21 HG22 ' A' ' 29' ' ' VAL . 41.4 t -111.98 128.08 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.297 1.1 p -114.19 127.69 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 169.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -133.53 146.67 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.0 0.52 . . . . 0.0 110.044 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.53 155.86 40.08 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.164 0.507 . . . . 0.0 110.686 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -73.36 127.7 33.41 Favored 'General case' 0 N--CA 1.45 -0.468 0 O-C-N 121.537 -0.727 . . . . 0.0 109.81 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.95 58.9 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-O 118.87 -0.961 . . . . 0.0 114.923 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.08 179.05 6.33 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.286 1.543 . . . . 0.0 111.653 176.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -101.95 168.96 9.07 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.7 156.09 5.38 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 124.196 0.998 . . . . 0.0 110.607 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.444 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.9 t60 -108.82 142.69 39.03 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 124.048 0.939 . . . . 0.0 109.782 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.511 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -131.7 112.49 15.05 Favored Pre-proline 0 N--CA 1.456 -0.157 0 C-N-CA 122.958 0.503 . . . . 0.0 110.82 177.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.27 136.07 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 123.024 2.482 . . . . 0.0 110.363 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.5 t -148.38 148.47 30.38 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.196 0.598 . . . . 0.0 110.324 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -148.22 155.07 40.92 Favored 'General case' 0 CA--C 1.524 -0.058 0 C-N-CA 123.311 0.644 . . . . 0.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -150.83 169.19 22.29 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -146.83 154.13 40.98 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.6 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -151.51 160.66 31.43 Favored Pre-proline 0 CA--C 1.531 0.242 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.56 151.88 59.23 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.356 2.704 . . . . 0.0 111.924 175.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.443 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.4 pt20 -89.63 35.94 0.84 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -130.15 155.68 45.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.9 3.39 80.05 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.757 -0.468 . . . . 0.0 112.005 -178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.443 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -151.52 176.21 11.55 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.547 0.673 . . . . 0.0 111.232 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.9 t -145.57 164.13 32.63 Favored 'General case' 0 CA--C 1.523 -0.067 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -62.24 -22.0 65.62 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.016 0.526 . . . . 0.0 111.767 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.6 m -76.3 -16.68 59.72 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 122.625 0.37 . . . . 0.0 111.979 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -97.62 119.97 61.52 Favored Pre-proline 0 C--O 1.232 0.181 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.574 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.23 152.4 44.83 Favored 'Trans proline' 0 N--CA 1.449 -1.095 0 C-N-CA 123.006 2.471 . . . . 0.0 110.1 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.87 153.15 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.429 ' CD2' HD22 ' A' ' 67' ' ' ASN . 26.1 m80 -136.11 128.92 31.02 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 121.022 0.439 . . . . 0.0 110.18 172.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.74 157.16 16.81 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -151.1 147.45 27.09 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 107.839 -1.171 . . . . 0.0 107.839 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.9 m95 -119.32 148.02 43.64 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.275 0.63 . . . . 0.0 111.641 173.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -144.45 152.93 41.33 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.213 0.605 . . . . 0.0 111.389 -179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -75.13 146.73 41.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.4 135.67 56.56 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.55 -6.67 82.14 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 119.536 -0.591 . . . . 0.0 113.08 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -70.8 162.19 29.6 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 177.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -116.68 97.5 50.39 Favored Pre-proline 0 N--CA 1.456 -0.127 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.98 -7.19 20.12 Favored 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 123.637 2.891 . . . . 0.0 112.501 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.522 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 10.4 m-85 -80.38 -8.36 59.48 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -177.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -152.97 -20.97 0.15 Allowed 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -81.38 155.42 25.94 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.687 0.676 . . . . 0.0 111.109 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.22 143.01 48.0 Favored Pre-proline 0 N--CA 1.454 -0.255 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 174.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.32 157.81 58.14 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.242 2.628 . . . . 0.0 109.538 175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 m -78.13 -22.11 13.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 O-C-N 121.815 -0.553 . . . . 0.0 109.547 172.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.27 146.6 13.93 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.02 0.528 . . . . 0.0 109.601 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t -157.11 157.18 34.03 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -82.7 -11.32 58.43 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.061 0.544 . . . . 0.0 111.171 174.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.429 HD22 ' CD2' ' A' ' 47' ' ' HIS . 1.5 m120 -64.14 135.86 96.5 Favored Pre-proline 0 N--CA 1.455 -0.195 0 C-N-CA 122.57 0.348 . . . . 0.0 111.703 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.61 -21.59 11.26 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.091 2.528 . . . . 0.0 111.72 174.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -108.51 -25.2 11.05 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 -175.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -73.58 135.3 43.88 Favored 'General case' 0 N--CA 1.457 -0.082 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -78.75 173.87 12.03 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m -135.7 161.58 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.258 0.623 . . . . 0.0 111.952 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 68.5 mm-40 -54.95 140.97 35.53 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.969 0.414 . . . . 0.0 111.544 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.42 -24.99 63.01 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -176.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -82.38 -5.63 58.75 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 122.235 -0.291 . . . . 0.0 110.856 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.45 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 1.9 p -125.53 4.62 7.59 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -60.92 120.37 10.06 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -175.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -12.82 7.11 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.459 -0.634 . . . . 0.0 113.188 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -92.95 -29.16 16.02 Favored 'General case' 0 C--N 1.339 0.116 0 CA-C-N 118.336 1.068 . . . . 0.0 111.483 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.4 m-85 -106.35 127.95 53.64 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 176.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.73 141.14 26.45 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.9 mp -74.41 154.46 38.78 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.072 0.549 . . . . 0.0 109.686 175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.8 mt -131.03 172.35 12.19 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 124.054 0.941 . . . . 0.0 110.199 -178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.88 -177.47 52.02 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 122.899 0.285 . . . . 0.0 113.107 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -87.47 142.23 28.02 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 -177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.1 mt -69.16 -41.8 81.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 123.02 0.528 . . . . 0.0 111.056 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -81.77 -6.23 58.87 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.487 0.315 . . . . 0.0 110.803 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.6 t -97.13 7.29 46.91 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.299 0.639 . . . . 0.0 111.35 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 56.65 32.89 21.87 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.469 0.708 . . . . 0.0 112.506 -176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -78.54 126.82 31.28 Favored 'General case' 0 N--CA 1.452 -0.354 0 O-C-N 121.965 -0.459 . . . . 0.0 111.095 174.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.44 14.29 22.59 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.938 0.495 . . . . 0.0 111.065 174.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.0 m -53.0 150.23 5.77 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.363 0.665 . . . . 0.0 110.946 -175.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.0 tp -135.88 150.12 49.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.671 -173.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.9 t -125.43 136.27 53.23 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.219 0.608 . . . . 0.0 109.58 172.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.78 137.52 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 171.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -126.64 147.54 49.9 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.9 t0 47.96 52.97 12.21 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.21 142.03 44.35 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -136.13 161.78 34.76 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 124.156 0.982 . . . . 0.0 109.341 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -59.8 -15.89 24.03 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -173.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -85.02 -4.01 59.0 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.189 0.449 . . . . 0.0 111.499 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -93.18 -17.52 23.62 Favored 'General case' 0 N--CA 1.46 0.073 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -68.43 134.37 50.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.083 0.553 . . . . 0.0 109.711 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.31 -149.19 20.68 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.288 -1.125 . . . . 0.0 110.288 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -125.29 151.94 45.33 Favored 'General case' 0 C--N 1.334 -0.073 0 C-N-CA 122.831 0.452 . . . . 0.0 110.956 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -139.9 160.98 38.69 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.447 1.099 . . . . 0.0 111.219 -177.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -143.77 155.56 44.21 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 175.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -102.57 160.63 14.4 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 46.2 ttt85 -140.85 150.39 43.2 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 118.244 0.474 . . . . 0.0 110.858 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.61 133.27 53.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.436 1.094 . . . . 0.0 110.07 -175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -138.75 130.98 28.39 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 169.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -154.29 110.51 3.26 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.69 -125.21 38.55 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 109.063 -1.615 . . . . 0.0 109.063 -172.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -83.1 -6.84 59.64 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 tpp -68.4 137.11 54.28 Favored 'General case' 0 C--N 1.34 0.181 0 O-C-N 121.937 -0.477 . . . . 0.0 111.078 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -149.1 124.23 10.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.732 1.213 . . . . 0.0 109.333 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.409 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 65.1 t-105 -162.2 130.71 4.16 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.162 0.437 . . . . 0.0 111.435 174.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.1 m -98.04 130.26 44.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 173.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -82.89 76.86 9.7 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.998 1.111 . . . . 0.0 113.998 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -148.93 164.52 34.29 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.972 0.909 . . . . 0.0 108.721 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 96.6 p -76.74 157.08 31.94 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.29 -163.52 1.53 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.196 1.398 . . . . 0.0 110.02 177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.07 -48.97 6.26 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 125.177 1.391 . . . . 0.0 112.748 -177.299 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.36 -15.9 2.79 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -76.67 141.44 40.96 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.63 141.35 43.22 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 123.133 0.573 . . . . 0.0 110.938 -176.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.3 t -155.5 164.21 38.99 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.7 ttmt -78.65 156.76 28.88 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.628 0.771 . . . . 0.0 111.706 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.01 171.53 14.37 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.588 1.155 . . . . 0.0 111.069 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.89 121.88 44.59 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.514 0.726 . . . . 0.0 110.07 -177.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 56.7 m -99.39 129.0 45.56 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 171.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.5 t -106.32 148.34 10.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 173.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.25 155.32 46.02 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -176.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 53.9 t -135.44 143.0 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.097 0 C-N-CA 123.002 0.521 . . . . 0.0 110.026 -176.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -141.52 146.03 35.88 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 112.639 0.607 . . . . 0.0 112.639 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.39 151.02 39.76 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.978 0.418 . . . . 0.0 110.798 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.58 -21.93 66.63 Favored 'General case' 0 C--O 1.225 -0.194 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 173.469 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER 54.45 12.63 0.55 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 118.04 2.607 . . . . 0.0 118.04 172.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -152.46 174.54 13.75 Favored 'General case' 0 C--N 1.337 0.057 0 O-C-N 121.576 -0.702 . . . . 0.0 111.614 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.45 ' H ' ' H ' ' A' ' 141' ' ' SER . . . 179.73 -0.24 0.02 OUTLIER Glycine 0 CA--C 1.53 0.988 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.86 179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.45 ' H ' ' H ' ' A' ' 140' ' ' GLY . 17.7 t -158.65 -167.62 2.19 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.92 0.888 . . . . 0.0 108.774 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.71 2.87 1.65 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.015 0.926 . . . . 0.0 111.788 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 54.2 t -141.35 139.3 18.7 Favored Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.31 160.64 41.43 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 123.752 2.968 . . . . 0.0 111.413 -179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? . . . . . 0 C--O 1.252 1.193 0 CA-C-O 117.605 -1.188 . . . . 0.0 110.21 -176.586 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.522 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.409 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.477 0.875 0 CA-C-O 119.792 -0.147 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -152.59 147.91 26.73 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.245 0.618 . . . . 0.0 109.942 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.01 160.08 51.13 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.913 -0.475 . . . . 0.0 111.913 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -71.41 157.7 37.59 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -148.74 169.41 20.51 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.562 0.745 . . . . 0.0 109.939 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -65.29 142.9 58.1 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.942 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -57.88 132.73 54.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 113.888 1.069 . . . . 0.0 113.888 172.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.43 10.41 85.65 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-O 119.676 -0.513 . . . . 0.0 112.853 -178.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -57.65 133.11 55.03 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.629 1.215 . . . . 0.0 110.245 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.5 -9.95 76.01 Favored Glycine 0 CA--C 1.523 0.572 0 CA-C-O 119.324 -0.709 . . . . 0.0 111.995 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -102.13 106.14 16.96 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 118.045 0.923 . . . . 0.0 110.365 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.444 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.43 159.94 41.17 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.47 0.653 . . . . 0.0 110.795 176.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 tt -146.46 145.78 30.33 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.726 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.419 HE22 HD23 ' A' ' 12' ' ' LEU . 22.9 mp0 -126.63 126.51 43.71 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.365 0.666 . . . . 0.0 109.619 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.5 p -152.38 158.17 4.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 C-N-CA 122.716 0.406 . . . . 0.0 111.453 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -55.34 128.71 35.44 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.675 0.79 . . . . 0.0 109.72 174.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -75.03 -27.73 60.18 Favored 'General case' 0 C--N 1.333 -0.124 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -174.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.7 tp -153.66 124.03 7.06 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.457 HG21 HG22 ' A' ' 29' ' ' VAL . 38.2 t -113.05 128.67 69.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.2 p -113.94 129.73 56.57 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 169.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -134.63 147.23 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.229 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.53 40.14 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 120.893 0.378 . . . . 0.0 110.314 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -73.94 129.05 37.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 121.567 -0.708 . . . . 0.0 109.796 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.1 1.11 58.37 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 118.738 -1.035 . . . . 0.0 114.859 175.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.99 179.15 6.36 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.351 1.576 . . . . 0.0 111.267 177.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.7 p -102.67 169.37 8.67 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -155.13 153.97 7.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.287 1.035 . . . . 0.0 110.57 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -108.01 142.93 37.4 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.041 0.936 . . . . 0.0 109.741 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -132.26 112.71 14.39 Favored Pre-proline 0 N--CA 1.456 -0.127 0 C-N-CA 122.935 0.494 . . . . 0.0 110.677 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.13 136.53 20.26 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.701 2.267 . . . . 0.0 110.255 177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.457 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 49.7 t -150.13 142.58 24.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.313 0.645 . . . . 0.0 110.362 178.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 72.1 m -143.23 154.65 44.04 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.743 0.817 . . . . 0.0 110.448 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -151.02 171.27 17.57 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.608 0.64 . . . . 0.0 112.004 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.3 t -148.81 155.28 40.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.761 0.315 . . . . 0.0 110.893 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.77 161.6 28.71 Favored Pre-proline 0 C--O 1.235 0.321 0 C-N-CA 123.978 0.911 . . . . 0.0 113.456 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.22 151.76 57.46 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.39 2.727 . . . . 0.0 111.654 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -89.58 35.88 0.83 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.063 0.545 . . . . 0.0 112.309 -176.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.97 157.73 41.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.28 3.25 84.85 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.253 0.454 . . . . 0.0 112.081 -177.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.0 p-90 -151.47 175.02 12.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.573 0.686 . . . . 0.0 111.054 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 t -144.61 163.12 34.86 Favored 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -61.66 -22.49 65.34 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.041 0.537 . . . . 0.0 112.27 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.3 m -76.59 -16.22 59.64 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.106 -0.371 . . . . 0.0 111.973 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -97.92 119.94 61.16 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 122.775 0.43 . . . . 0.0 111.39 178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.22 153.22 45.79 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 122.688 2.259 . . . . 0.0 110.495 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -75.22 152.77 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -136.17 130.96 34.01 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.033 0.444 . . . . 0.0 110.599 171.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.41 157.01 15.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -151.34 147.96 27.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -117.59 147.92 42.39 Favored 'General case' 0 C--O 1.231 0.122 0 C-N-CA 123.041 0.536 . . . . 0.0 112.099 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -142.69 153.25 43.2 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 75.3 mtt-85 -79.81 140.83 36.71 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.65 138.59 58.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 O-C-N 122.098 -0.376 . . . . 0.0 110.738 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 -5.82 80.85 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 119.158 -0.801 . . . . 0.0 114.141 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.5 p30 -83.63 -176.64 6.39 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.089 1.445 . . . . 0.0 108.11 179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -118.6 102.94 49.44 Favored Pre-proline 0 N--CA 1.455 -0.203 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.82 -9.45 25.76 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 123.136 2.557 . . . . 0.0 111.63 -175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.575 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 8.9 m-85 -87.84 -5.41 58.62 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -178.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -132.91 -32.17 1.25 Allowed 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.578 0.626 . . . . 0.0 111.668 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -91.91 156.75 17.25 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.85 150.24 81.21 Favored Pre-proline 0 N--CA 1.453 -0.306 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.16 155.89 60.38 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.035 2.49 . . . . 0.0 109.569 176.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.26 -20.58 13.41 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.061 0 O-C-N 121.88 -0.512 . . . . 0.0 109.995 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.83 146.61 14.68 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.003 0.521 . . . . 0.0 109.762 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t -159.15 157.2 30.44 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 177.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -86.63 -2.73 58.75 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.153 0.581 . . . . 0.0 111.767 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.404 ' HB3' ' H ' ' A' ' 70' ' ' ARG . 0.9 OUTLIER -64.46 136.23 96.67 Favored Pre-proline 0 N--CA 1.455 -0.183 0 CA-C-N 117.618 0.19 . . . . 0.0 111.363 179.033 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -77.85 -19.95 12.16 Favored 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 123.207 2.605 . . . . 0.0 111.304 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -112.64 -27.25 8.26 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 116.83 2.159 . . . . 0.0 116.83 -174.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' H ' ' HB3' ' A' ' 67' ' ' ASN . 19.7 tpt180 -74.87 138.5 42.52 Favored 'General case' 0 N--CA 1.457 -0.112 0 O-C-N 122.062 -0.398 . . . . 0.0 110.385 -178.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -78.33 173.67 12.07 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.834 0.454 . . . . 0.0 110.756 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -136.32 164.13 32.16 Favored 'Isoleucine or valine' 0 C--O 1.231 0.104 0 C-N-CA 123.546 0.738 . . . . 0.0 110.988 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -55.67 141.41 38.0 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.6 0.238 . . . . 0.0 111.468 -178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.61 -23.84 62.63 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -86.36 -3.5 59.0 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 122.12 -0.362 . . . . 0.0 111.157 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.403 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.7 p -124.42 4.59 8.37 Favored 'General case' 0 CA--C 1.524 -0.046 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 177.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -62.2 120.82 11.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.94 -13.93 4.02 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 123.662 0.648 . . . . 0.0 113.075 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.7 mtm105 -90.72 -30.45 17.07 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-N 118.72 1.26 . . . . 0.0 111.219 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.403 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.1 m-85 -106.04 126.46 52.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 176.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.29 141.29 27.17 Favored 'General case' 0 N--CA 1.462 0.137 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.16 154.51 39.06 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.447 0.699 . . . . 0.0 109.48 175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -131.67 171.68 13.18 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.93 0.892 . . . . 0.0 110.265 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.03 -178.5 53.79 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 121.035 0.242 . . . . 0.0 113.16 175.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -88.49 133.28 34.18 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -177.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.5 mt -62.56 -39.91 86.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 123.406 0.682 . . . . 0.0 111.262 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -82.72 -6.18 59.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.386 0.274 . . . . 0.0 110.702 -175.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -97.35 8.64 44.19 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.197 0.599 . . . . 0.0 111.082 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 56.74 35.06 25.66 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 123.181 0.593 . . . . 0.0 112.438 -175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -79.02 129.01 33.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 175.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.457 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.71 14.06 17.45 Favored 'General case' 0 C--O 1.231 0.129 0 C-N-CA 123.046 0.538 . . . . 0.0 110.981 174.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.3 m -53.11 150.12 6.14 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.074 0.55 . . . . 0.0 111.052 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.1 tp -135.34 150.27 49.92 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.503 -173.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.3 t -125.7 136.35 53.1 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.159 0.584 . . . . 0.0 109.783 172.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -108.56 136.97 42.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 171.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 96' ' ' ARG . 45.1 mtp180 -127.27 148.12 50.22 Favored 'General case' 0 C--O 1.233 0.203 0 C-N-CA 122.915 0.486 . . . . 0.0 109.728 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 51.4 t0 48.47 50.12 17.27 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.61 139.28 50.53 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 122.403 0.281 . . . . 0.0 111.695 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -137.46 166.33 24.11 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.882 0.873 . . . . 0.0 110.011 177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -59.66 -15.88 22.46 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -81.81 -4.68 57.02 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.565 0.621 . . . . 0.0 111.631 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -94.76 -17.72 21.91 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 117.923 0.329 . . . . 0.0 110.242 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.7 ttpp -69.75 135.17 49.43 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.75 -149.58 21.34 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.4 153.07 43.98 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 122.763 0.425 . . . . 0.0 110.957 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.433 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 74.5 m-85 -140.43 160.44 39.99 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 124.172 0.989 . . . . 0.0 111.23 -177.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -143.27 155.93 44.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 175.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -102.18 158.18 16.36 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.424 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.8 ttt85 -137.92 149.42 46.19 Favored 'General case' 0 C--O 1.231 0.097 0 CA-C-N 118.008 0.367 . . . . 0.0 110.948 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.17 132.01 53.11 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.765 1.226 . . . . 0.0 110.614 -175.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -138.74 132.31 30.53 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -153.79 112.31 3.64 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.7 -122.85 30.84 Favored Glycine 0 CA--C 1.531 1.075 0 N-CA-C 109.249 -1.54 . . . . 0.0 109.249 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.1 t -84.74 -11.07 56.57 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.242 0.617 . . . . 0.0 111.845 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.4 tpp -65.32 135.75 55.72 Favored 'General case' 0 C--O 1.231 0.131 0 O-C-N 122.013 -0.429 . . . . 0.0 111.267 -179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -146.69 123.55 11.3 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.857 1.263 . . . . 0.0 109.571 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.459 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 59.6 t-105 -160.36 141.42 12.11 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.424 ' HB3' HH11 ' A' ' 109' ' ' ARG . 76.1 p -119.42 133.17 55.83 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 176.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -84.39 78.3 9.84 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -174.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -146.75 161.68 40.12 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.215 -1.032 . . . . 0.0 108.215 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -77.79 156.39 30.54 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -175.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -139.67 -164.01 1.6 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.348 1.459 . . . . 0.0 109.869 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.59 -49.71 7.5 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.94 1.296 . . . . 0.0 112.939 -176.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.88 -14.5 3.12 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -78.71 138.96 38.52 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.17 141.3 42.19 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 123.009 0.524 . . . . 0.0 110.277 -175.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.8 t -154.82 164.38 38.9 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.453 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.92 153.76 40.85 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.34 1.056 . . . . 0.0 111.56 -176.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -138.77 166.7 23.73 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 124.086 0.955 . . . . 0.0 110.779 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -112.29 121.84 46.03 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.502 0.721 . . . . 0.0 110.112 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.4 m -99.25 129.8 45.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.94 148.14 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.077 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 172.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.05 155.25 46.2 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -177.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 61.4 t -134.45 142.85 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 122.888 0.475 . . . . 0.0 110.225 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.8 t -141.75 146.62 36.21 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.162 0.585 . . . . 0.0 112.555 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.99 149.94 41.0 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.878 -0.514 . . . . 0.0 111.038 -178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.8 -25.21 67.14 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 173.013 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 1.0 OUTLIER 56.57 -9.5 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 118.101 2.63 . . . . 0.0 118.101 176.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -161.38 163.28 30.73 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.435 0.694 . . . . 0.0 110.158 173.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 66.38 -143.38 44.2 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 94.6 p -147.81 179.82 7.43 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.444 0.697 . . . . 0.0 110.021 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.8 mt -71.42 -0.41 10.24 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.1 137.28 97.07 Favored Pre-proline 0 CA--C 1.529 0.158 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -64.16 136.76 53.4 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 123.233 2.622 . . . . 0.0 111.097 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 9.4 ptt180 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 117.165 -1.398 . . . . 0.0 110.292 -175.478 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.575 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.459 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.2 ttm . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -80.6 -11.51 59.64 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.57 169.76 53.73 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -68.51 153.16 44.3 Favored 'General case' 0 C--N 1.334 -0.077 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -157.68 169.37 24.81 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.029 0.531 . . . . 0.0 110.5 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.13 140.0 58.75 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.131 0.572 . . . . 0.0 109.86 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -57.67 133.43 55.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 172.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.88 10.7 86.04 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.908 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -56.29 130.22 43.59 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.337 1.069 . . . . 0.0 112.479 175.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.21 80.33 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.718 -0.49 . . . . 0.0 111.941 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -102.04 107.3 18.38 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 117.864 0.832 . . . . 0.0 108.788 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -143.04 162.44 35.48 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 121.232 0.539 . . . . 0.0 110.628 176.269 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -147.74 146.29 29.16 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.432 0.693 . . . . 0.0 109.464 -174.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.443 HE22 HD23 ' A' ' 12' ' ' LEU . 22.4 mp0 -126.06 127.02 45.18 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' H ' ' HG2' ' A' ' 128' ' ' LYS . 8.6 p -152.41 157.25 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 122.537 0.335 . . . . 0.0 111.492 179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -52.83 130.85 34.31 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.895 0.878 . . . . 0.0 110.375 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -74.77 -30.69 61.54 Favored 'General case' 0 N--CA 1.458 -0.06 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.9 tp -154.17 122.02 5.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.041 0.448 . . . . 0.0 109.979 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 HG22 ' A' ' 29' ' ' VAL . 42.6 t -109.58 128.5 65.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 177.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.295 1.1 p -114.8 128.78 56.49 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 169.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.6 p -133.7 147.15 30.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.125 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.221 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -71.66 155.63 40.28 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 110.601 177.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -73.8 127.59 33.22 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 121.445 -0.784 . . . . 0.0 109.618 177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.56 1.43 58.99 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 118.871 -0.961 . . . . 0.0 115.077 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.56 -179.99 5.71 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 119.342 1.571 . . . . 0.0 111.515 176.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.6 p -103.55 168.94 8.83 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.0 p -154.29 155.0 6.49 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 124.396 1.078 . . . . 0.0 110.542 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.431 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.6 t60 -108.82 142.52 39.27 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.045 0.938 . . . . 0.0 110.089 179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.479 HG22 HG21 ' A' ' 19' ' ' VAL . 37.0 t -131.22 112.2 15.61 Favored Pre-proline 0 CA--C 1.528 0.102 0 C-N-CA 123.02 0.528 . . . . 0.0 110.668 177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.49 135.98 18.87 Favored 'Trans proline' 0 N--CA 1.449 -1.124 0 C-N-CA 122.729 2.286 . . . . 0.0 110.282 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -148.22 147.2 29.13 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.014 0.525 . . . . 0.0 110.334 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -147.28 155.81 42.38 Favored 'General case' 0 N--CA 1.46 0.067 0 C-N-CA 123.25 0.62 . . . . 0.0 110.775 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -150.91 169.45 21.7 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.9 t -147.85 153.54 39.27 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 122.857 0.463 . . . . 0.0 111.111 176.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -154.44 160.36 31.0 Favored Pre-proline 0 N--CA 1.454 -0.265 0 C-N-CA 123.752 0.821 . . . . 0.0 113.105 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -59.35 154.23 48.45 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 123.164 2.576 . . . . 0.0 111.629 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.488 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -81.75 13.2 3.33 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 151.32 20.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.45 4.94 89.96 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.434 -0.648 . . . . 0.0 113.855 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.488 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.76 174.16 12.48 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 118.454 1.127 . . . . 0.0 111.258 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -145.04 163.26 34.78 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -59.05 -23.8 62.32 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.2 m -76.27 -16.21 59.84 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -96.76 120.14 62.41 Favored Pre-proline 0 C--O 1.232 0.16 0 C-N-CA 122.87 0.468 . . . . 0.0 111.289 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.63 152.28 37.71 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 122.954 2.436 . . . . 0.0 110.42 177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -72.4 153.07 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 176.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -136.24 128.73 30.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 120.618 0.247 . . . . 0.0 110.573 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.71 156.51 16.52 Favored Glycine 0 CA--C 1.522 0.526 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.599 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -149.96 146.47 27.05 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -118.27 145.95 44.66 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 122.947 0.499 . . . . 0.0 112.031 173.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -142.7 153.06 43.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 80.2 mtt-85 -79.28 141.99 36.55 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 176.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.86 137.06 57.96 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.161 -0.337 . . . . 0.0 110.908 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.72 -3.46 86.77 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.012 -0.882 . . . . 0.0 114.417 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.4 p30 -85.26 -177.64 6.55 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 119.205 1.502 . . . . 0.0 108.498 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.8 mmt85 -116.79 107.33 46.46 Favored Pre-proline 0 C--N 1.339 0.137 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -71.62 -11.38 27.99 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 123.456 2.771 . . . . 0.0 111.618 -177.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.521 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 9.3 m-85 -85.64 -6.3 59.16 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 -177.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -135.59 -33.97 0.85 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.736 0.698 . . . . 0.0 111.591 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -90.42 159.03 16.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.44 146.42 65.92 Favored Pre-proline 0 N--CA 1.451 -0.421 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -70.14 159.1 54.32 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 123.458 2.772 . . . . 0.0 109.883 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.8 m -79.36 -20.55 12.51 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.075 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.5 146.2 13.31 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -160.45 156.93 26.79 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -88.58 -5.0 58.46 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.229 0.612 . . . . 0.0 111.788 174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.32 136.29 84.15 Favored Pre-proline 0 N--CA 1.454 -0.244 0 CA-C-N 117.819 0.281 . . . . 0.0 110.592 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -77.22 -23.63 10.14 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.006 2.471 . . . . 0.0 111.393 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -98.61 -28.41 13.57 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 116.182 1.919 . . . . 0.0 116.182 -176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -77.79 134.75 37.96 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -82.46 176.47 9.38 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.39 161.86 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.087 0 C-N-CA 122.956 0.502 . . . . 0.0 111.886 177.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -56.78 142.37 40.89 Favored 'General case' 0 N--CA 1.457 -0.084 0 CA-C-O 121.059 0.457 . . . . 0.0 111.261 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.64 -23.94 62.62 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -85.36 -3.39 58.82 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.792 0.269 . . . . 0.0 111.199 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.429 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -126.34 5.31 6.99 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.74 119.73 9.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -175.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.19 -13.91 5.45 Favored Glycine 0 CA--C 1.527 0.825 0 CA-C-O 119.336 -0.702 . . . . 0.0 113.356 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -90.34 -29.62 17.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 118.404 1.102 . . . . 0.0 111.314 178.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.429 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.3 m-85 -105.49 127.97 53.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 175.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -147.06 142.07 27.03 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.85 154.47 39.46 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.431 0.692 . . . . 0.0 109.431 175.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -133.55 172.66 12.43 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.963 0.905 . . . . 0.0 110.136 -178.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.47 -178.13 53.2 Favored Glycine 0 CA--C 1.529 0.95 0 CA-C-O 121.186 0.325 . . . . 0.0 113.114 175.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.45 132.67 33.92 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.48 -40.0 86.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 123.393 0.677 . . . . 0.0 111.151 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.2 m95 -82.21 -8.5 59.65 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.572 0.349 . . . . 0.0 110.798 -175.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -95.49 8.59 42.84 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.437 0.695 . . . . 0.0 111.312 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 56.96 34.03 24.24 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.15 0.58 . . . . 0.0 112.316 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -78.14 126.77 31.3 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.074 -0.391 . . . . 0.0 111.417 174.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -111.52 14.56 21.38 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.2 0.6 . . . . 0.0 111.169 174.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.3 m -53.31 150.05 6.7 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.094 0.558 . . . . 0.0 111.117 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.2 tp -134.9 149.59 50.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.698 -174.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 83' ' ' LEU . 23.5 t -125.4 135.66 52.63 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.262 0.625 . . . . 0.0 109.592 173.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.08 136.31 43.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 171.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -126.5 147.52 49.82 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.792 0.437 . . . . 0.0 109.839 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 47.61 53.37 11.27 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.92 141.84 43.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -173.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -137.24 164.16 29.18 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 124.477 1.111 . . . . 0.0 109.105 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -60.92 -15.66 33.5 Favored 'General case' 0 CA--C 1.529 0.147 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 -173.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -82.31 -4.1 56.58 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.209 0.459 . . . . 0.0 111.793 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -93.71 -16.76 23.91 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.036 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -72.42 136.38 46.03 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.884 0.474 . . . . 0.0 109.816 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.36 -148.19 19.14 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.1 t -126.97 151.46 48.51 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 122.713 0.405 . . . . 0.0 110.887 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 73.8 m-85 -139.1 162.26 35.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 124.321 1.048 . . . . 0.0 110.776 -178.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -144.56 157.77 44.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -104.22 160.08 15.17 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -139.84 148.0 41.51 Favored 'General case' 0 C--N 1.335 -0.026 0 CA-C-N 118.184 0.447 . . . . 0.0 110.834 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.5 tp -121.08 134.39 55.26 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.45 1.1 . . . . 0.0 110.084 -175.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.6 132.49 29.29 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 169.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 73.1 ttt180 -155.09 110.95 3.14 Favored 'General case' 0 C--N 1.334 -0.097 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.32 -123.12 32.15 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 -172.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -83.68 -11.92 56.58 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.05 0.54 . . . . 0.0 111.757 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.8 tpp -66.09 136.95 56.69 Favored 'General case' 0 C--N 1.338 0.099 0 O-C-N 121.828 -0.545 . . . . 0.0 111.681 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -148.41 124.01 10.43 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 125.067 1.347 . . . . 0.0 109.331 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.454 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.4 t-105 -160.79 127.58 4.14 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 118.354 0.525 . . . . 0.0 111.361 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.0 m -96.0 133.09 40.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.199 0.6 . . . . 0.0 109.456 172.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -84.25 78.57 9.76 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -146.69 158.09 43.83 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 124.453 1.101 . . . . 0.0 109.029 -177.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.0 t -81.29 150.28 28.6 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -133.96 -163.18 1.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.223 1.409 . . . . 0.0 110.282 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -48.6 5.34 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 125.392 1.477 . . . . 0.0 113.187 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.98 -13.09 3.22 Favored 'General case' 0 N--CA 1.458 -0.074 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 177.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -78.2 142.39 37.96 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -138.49 140.07 39.04 Favored 'General case' 0 C--N 1.337 0.057 0 C-N-CA 122.801 0.441 . . . . 0.0 110.423 -176.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.0 t -155.21 164.75 38.38 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.401 ' HG2' ' H ' ' A' ' 15' ' ' VAL . 16.1 tppt? -72.63 153.44 41.23 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.465 1.106 . . . . 0.0 111.775 -175.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -137.4 168.34 19.82 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 124.255 1.022 . . . . 0.0 110.986 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.9 tp -113.38 127.88 56.27 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.443 0.697 . . . . 0.0 109.847 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.1 m -103.89 133.36 49.0 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 169.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 48.5 t -112.13 148.34 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.135 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.21 45.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.97 142.59 39.76 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 C-N-CA 122.879 0.472 . . . . 0.0 110.189 -176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.42 146.31 36.39 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.71 149.36 39.9 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 122.22 -0.3 . . . . 0.0 110.885 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.44 -22.6 66.78 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 173.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.316 1.2 t 54.43 15.16 0.93 Allowed 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 117.374 2.361 . . . . 0.0 117.374 173.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 14.2 p80 -134.32 -4.32 2.68 Favored 'General case' 0 CA--C 1.528 0.126 0 O-C-N 121.844 -0.535 . . . . 0.0 111.748 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -67.35 -11.94 60.16 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 112.3 -0.32 . . . . 0.0 112.3 -176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 64.8 m -79.38 4.8 14.29 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 117.37 0.585 . . . . 0.0 111.882 176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 61.9 mt 60.49 10.29 2.43 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.046 0.938 . . . . 0.0 112.941 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 61.58 130.1 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.253 0 C-N-CA 125.147 1.379 . . . . 0.0 114.297 -175.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -66.03 156.81 62.68 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.173 2.582 . . . . 0.0 110.411 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 117.13 -1.414 . . . . 0.0 110.294 -174.189 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.521 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.454 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.642 0.258 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -68.67 -12.79 61.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.684 0.393 . . . . 0.0 111.69 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.21 -1.68 83.96 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 123.168 0.413 . . . . 0.0 112.478 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -66.04 152.44 44.64 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -70.75 168.14 17.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.465 0.706 . . . . 0.0 111.298 178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -65.01 139.84 58.79 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.944 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.25 12.0 t80 -58.56 134.43 56.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 172.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.36 9.03 87.37 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.597 -0.557 . . . . 0.0 112.543 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -57.06 132.32 52.54 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.62 1.21 . . . . 0.0 112.26 175.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.57 -8.4 75.23 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 119.553 -0.582 . . . . 0.0 111.958 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -99.65 103.29 14.97 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 117.807 0.804 . . . . 0.0 110.777 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -140.69 160.59 39.7 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.503 0.668 . . . . 0.0 110.62 176.299 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.0 tt -146.85 146.33 30.16 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.568 -175.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.428 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -126.06 126.81 44.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -152.19 157.57 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.664 0.269 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -53.03 130.77 34.91 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.711 0.804 . . . . 0.0 110.159 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -75.06 -29.4 60.72 Favored 'General case' 0 C--O 1.23 0.07 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -155.5 121.75 5.18 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.996 0.427 . . . . 0.0 110.24 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.482 HG21 HG22 ' A' ' 29' ' ' VAL . 45.1 t -109.24 121.83 62.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 p -106.02 127.26 53.05 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 173.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.37 144.85 32.95 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.04 155.87 39.84 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.976 0.417 . . . . 0.0 110.768 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -72.17 128.22 34.99 Favored 'General case' 0 N--CA 1.452 -0.367 0 O-C-N 121.668 -0.645 . . . . 0.0 110.032 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.4 1.99 60.5 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 118.81 -0.995 . . . . 0.0 114.78 175.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.06 179.22 6.23 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 119.387 1.593 . . . . 0.0 111.69 176.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.3 p -103.62 168.29 9.24 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 -175.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.9 p -155.0 148.92 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.211 1.004 . . . . 0.0 111.044 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.44 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.7 t60 -102.2 142.57 33.23 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 123.705 0.802 . . . . 0.0 110.047 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.482 HG22 HG21 ' A' ' 19' ' ' VAL . 41.2 t -131.2 111.47 15.49 Favored Pre-proline 0 N--CA 1.455 -0.176 0 C-N-CA 122.993 0.517 . . . . 0.0 110.683 177.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -74.75 135.71 19.95 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.874 2.382 . . . . 0.0 110.1 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.0 t -148.61 147.01 28.49 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 122.774 0.43 . . . . 0.0 110.363 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.5 t -148.18 155.63 41.62 Favored 'General case' 0 C--N 1.335 -0.042 0 C-N-CA 122.788 0.435 . . . . 0.0 110.268 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -150.86 170.39 19.4 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.274 0.559 . . . . 0.0 112.492 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.2 t -148.19 154.58 40.3 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 175.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -152.45 159.96 31.92 Favored Pre-proline 0 N--CA 1.455 -0.222 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -174.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.96 152.05 53.45 Favored 'Trans proline' 0 N--CA 1.453 -0.856 0 C-N-CA 123.177 2.585 . . . . 0.0 111.973 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -89.83 36.11 0.85 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 123.585 0.754 . . . . 0.0 112.494 -176.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.65 155.61 45.57 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.84 4.4 82.38 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.654 -0.526 . . . . 0.0 112.244 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -152.07 174.98 13.03 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 117.732 0.766 . . . . 0.0 111.122 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -143.18 162.62 35.11 Favored 'General case' 0 C--N 1.334 -0.083 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -61.41 -21.36 64.03 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.0 t -76.18 -23.38 54.69 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 122.513 0.325 . . . . 0.0 111.358 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -89.56 121.15 69.45 Favored Pre-proline 0 N--CA 1.454 -0.228 0 CA-C-O 119.066 -0.492 . . . . 0.0 111.42 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -74.95 153.54 42.1 Favored 'Trans proline' 0 N--CA 1.449 -1.117 0 C-N-CA 122.726 2.284 . . . . 0.0 110.505 176.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.39 151.24 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.458 ' CD2' HD22 ' A' ' 67' ' ' ASN . 28.8 m80 -136.15 129.83 32.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 121.159 0.504 . . . . 0.0 110.474 172.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.38 157.79 15.72 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.957 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -151.8 148.28 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -118.1 148.06 42.67 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 174.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -145.69 155.95 43.32 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 123.365 0.666 . . . . 0.0 111.773 -178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.533 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.2 mtm180 -86.62 145.76 26.6 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.95 140.75 57.69 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.36 -3.33 85.15 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-O 118.986 -0.897 . . . . 0.0 114.625 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.3 p30 -87.08 -170.55 3.11 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.31 1.555 . . . . 0.0 107.984 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -125.05 105.07 29.19 Favored Pre-proline 0 CA--C 1.528 0.103 0 C-N-CA 123.263 0.625 . . . . 0.0 109.515 176.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.36 -10.4 26.99 Favored 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 123.525 2.817 . . . . 0.0 111.701 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.611 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 7.7 m-85 -86.49 -5.39 59.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -134.02 -34.65 0.98 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.658 0.663 . . . . 0.0 111.294 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.9 m-20 -90.76 154.86 19.23 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.28 151.17 85.58 Favored Pre-proline 0 N--CA 1.453 -0.291 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -70.91 155.18 62.59 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.133 2.555 . . . . 0.0 110.041 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.7 m -77.62 -20.57 13.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 173.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.06 148.08 13.34 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 122.669 0.387 . . . . 0.0 109.994 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t -158.59 157.9 32.86 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 122.35 0.26 . . . . 0.0 111.46 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -86.89 -4.4 59.17 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.295 0.638 . . . . 0.0 111.717 174.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.458 HD22 ' CD2' ' A' ' 47' ' ' HIS . 2.5 m120 -63.62 135.32 96.22 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 118.313 0.506 . . . . 0.0 111.23 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -77.91 -20.43 11.74 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 123.111 2.54 . . . . 0.0 111.653 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -112.44 -25.53 9.15 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 -174.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -74.93 139.43 43.03 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 117.96 0.346 . . . . 0.0 110.301 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -79.37 173.36 12.66 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-O 121.092 0.472 . . . . 0.0 110.401 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.13 164.85 30.75 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.086 0 C-N-CA 123.83 0.852 . . . . 0.0 110.74 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.68 139.01 40.28 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 120.852 0.358 . . . . 0.0 111.098 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.07 -20.9 63.2 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.324 0.25 . . . . 0.0 111.436 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -89.03 -2.12 58.42 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 122.694 0.398 . . . . 0.0 111.295 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.41 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.0 p -126.27 5.15 7.04 Favored 'General case' 0 CA--C 1.521 -0.171 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 176.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.49 120.74 11.69 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -175.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.35 -14.44 4.09 Favored Glycine 0 CA--C 1.529 0.951 0 CA-C-O 119.441 -0.644 . . . . 0.0 112.898 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -88.75 -31.28 18.49 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 118.519 1.159 . . . . 0.0 110.85 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.6 m-85 -107.46 126.58 52.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 176.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -146.71 141.92 27.29 Favored 'General case' 0 C--O 1.227 -0.126 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -74.19 154.45 39.05 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 123.369 0.668 . . . . 0.0 109.78 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -131.33 172.24 12.4 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.002 0.921 . . . . 0.0 110.188 -178.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.79 -179.23 52.76 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 121.066 0.259 . . . . 0.0 112.903 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.39 132.9 33.82 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.97 -39.81 85.01 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 123.544 0.738 . . . . 0.0 111.072 -178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -82.52 -7.3 59.64 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.469 0.308 . . . . 0.0 110.91 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -96.88 8.92 43.32 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.251 0.62 . . . . 0.0 111.108 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 56.86 34.14 24.29 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.271 0.629 . . . . 0.0 112.209 -175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -79.2 128.01 32.76 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.089 -0.382 . . . . 0.0 111.808 174.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.474 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -113.95 14.59 18.5 Favored 'General case' 0 N--CA 1.458 -0.063 0 C-N-CA 123.283 0.633 . . . . 0.0 111.153 175.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.7 m -52.96 150.26 5.69 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.926 0.49 . . . . 0.0 110.941 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.7 tp -135.65 149.05 49.19 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.636 -174.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.476 ' HB2' HD11 ' A' ' 83' ' ' LEU . 20.6 t -124.05 134.29 53.45 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.33 0.652 . . . . 0.0 109.698 173.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.7 136.69 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.12 149.01 50.6 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.37 53.18 12.35 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.08 143.79 37.12 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -138.12 161.7 36.1 Favored 'General case' 0 CA--C 1.523 -0.079 0 C-N-CA 124.25 1.02 . . . . 0.0 109.447 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -60.69 -15.3 27.46 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -173.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptm85 -85.19 -2.42 58.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 122.971 0.509 . . . . 0.0 111.591 178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -95.83 -18.5 20.33 Favored 'General case' 0 C--N 1.338 0.095 0 N-CA-C 109.649 -0.501 . . . . 0.0 109.649 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.63 136.68 54.78 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.997 0.519 . . . . 0.0 109.868 178.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.36 -150.53 22.37 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 -177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.3 t -123.08 152.82 40.68 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 123.035 0.534 . . . . 0.0 110.601 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.533 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 59.0 m-85 -137.2 157.91 45.6 Favored 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.669 1.188 . . . . 0.0 112.608 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -144.03 153.39 42.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -101.58 157.43 16.82 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 45.5 ttt85 -136.29 149.79 48.61 Favored 'General case' 0 C--O 1.227 -0.129 0 C-N-CA 122.644 0.378 . . . . 0.0 111.115 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.6 tp -127.4 131.78 50.24 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.514 1.125 . . . . 0.0 110.178 -174.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -139.34 131.35 27.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 169.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -154.11 112.19 3.54 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.22 -125.22 38.38 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 108.957 -1.657 . . . . 0.0 108.957 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.1 t -83.17 -11.28 58.04 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.875 0.47 . . . . 0.0 111.809 178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.6 tpp -64.66 135.48 55.96 Favored 'General case' 0 C--O 1.232 0.135 0 O-C-N 121.748 -0.595 . . . . 0.0 111.434 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -145.62 124.63 12.79 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.714 1.206 . . . . 0.0 109.251 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.437 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.3 t-105 -161.82 150.47 15.44 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 174.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.9 p -133.81 136.26 44.35 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 175.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -84.12 78.34 9.78 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 -170.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -148.05 154.36 40.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.0 t -65.11 156.15 32.55 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.19 -165.14 1.95 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.267 1.427 . . . . 0.0 109.474 -175.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.455 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.72 -48.82 20.26 Favored 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -176.047 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.66 -13.57 3.3 Favored 'General case' 0 N--CA 1.457 -0.087 0 C-N-CA 122.75 0.42 . . . . 0.0 111.937 176.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -75.49 142.68 42.84 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 177.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 69.9 mmtt -139.23 138.23 36.65 Favored 'General case' 0 CA--C 1.524 -0.051 0 C-N-CA 123.188 0.595 . . . . 0.0 110.25 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 t -154.56 166.12 34.33 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -70.7 153.2 43.04 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.872 1.269 . . . . 0.0 112.037 -174.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -139.08 168.46 19.77 Favored 'General case' 0 C--O 1.231 0.106 0 C-N-CA 124.226 1.011 . . . . 0.0 110.626 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 19.3 tp -114.89 123.77 50.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.494 0.718 . . . . 0.0 109.549 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 73.8 m -99.48 131.98 45.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 170.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 44.5 t -110.46 148.1 14.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.66 155.07 46.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 -176.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.23 143.02 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.627 0.371 . . . . 0.0 110.179 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -142.18 145.77 34.53 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.2 0.6 . . . . 0.0 112.475 177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.19 149.61 40.81 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 122.018 -0.426 . . . . 0.0 111.0 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.43 -33.74 76.58 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.865 0.466 . . . . 0.0 110.19 176.247 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.323 0.8 OUTLIER 53.73 11.4 0.31 Allowed 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 117.823 2.527 . . . . 0.0 117.823 176.319 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.15 15.1 1.68 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 113.48 0.919 . . . . 0.0 113.48 -177.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.6 15.12 80.7 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 119.086 -0.841 . . . . 0.0 114.72 172.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 96.8 p -146.14 158.67 43.88 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.776 1.288 . . . . 0.0 111.198 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.97 8.81 5.0 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.7 0.8 . . . . 0.0 112.54 -176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' ' 145' ' ' ARG . 45.9 t -67.73 129.64 93.3 Favored Pre-proline 0 CA--C 1.529 0.171 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -74.86 3.26 5.7 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 124.169 3.246 . . . . 0.0 113.065 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.499 ' H ' HG12 ' A' ' 143' ' ' VAL . 84.2 mmt-85 . . . . . 0 C--O 1.252 1.19 0 CA-C-O 117.013 -1.47 . . . . 0.0 110.722 -176.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.611 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.437 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mtp . . . . . 0 N--CA 1.48 1.025 0 N-CA-C 110.882 -0.044 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -69.11 159.87 32.11 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.098 0.559 . . . . 0.0 111.314 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.86 -175.41 46.73 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -71.13 162.38 29.52 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -153.08 169.37 23.12 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.483 0.713 . . . . 0.0 110.412 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.18 138.51 58.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.305 0.642 . . . . 0.0 109.942 178.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.24 133.75 52.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 172.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.46 11.63 85.3 Favored Glycine 0 CA--C 1.527 0.838 0 CA-C-O 119.7 -0.5 . . . . 0.0 113.062 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -54.89 130.5 41.49 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 118.513 1.157 . . . . 0.0 112.64 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.75 -7.68 81.36 Favored Glycine 0 CA--C 1.524 0.653 0 CA-C-O 119.36 -0.689 . . . . 0.0 112.088 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -101.42 104.28 15.22 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 118.029 0.915 . . . . 0.0 110.219 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.86 162.93 34.25 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 121.307 0.575 . . . . 0.0 110.665 176.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -148.46 146.55 28.45 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.697 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.419 HE22 HD23 ' A' ' 12' ' ' LEU . 22.2 mp0 -129.3 131.66 47.0 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -152.91 159.88 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.986 0.514 . . . . 0.0 110.321 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.63 128.42 32.36 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 173.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -76.09 -26.61 56.63 Favored 'General case' 0 CA--C 1.527 0.088 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -172.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -155.3 122.36 5.47 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 122.855 0.462 . . . . 0.0 109.898 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.527 HG21 HG22 ' A' ' 29' ' ' VAL . 42.7 t -110.12 124.85 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 14.1 p -109.08 128.76 55.26 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.87 146.1 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.34 156.37 39.16 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.179 0.514 . . . . 0.0 110.851 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -73.48 128.54 35.77 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 121.721 -0.612 . . . . 0.0 110.019 177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.01 2.29 60.99 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 118.901 -0.944 . . . . 0.0 114.723 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.16 178.35 6.86 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 119.487 1.644 . . . . 0.0 111.508 176.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.6 p -101.66 168.91 9.17 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -154.41 154.07 7.56 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 124.281 1.032 . . . . 0.0 110.698 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.432 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.9 t60 -107.34 141.95 37.9 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.638 0.775 . . . . 0.0 109.695 179.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG22 HG21 ' A' ' 19' ' ' VAL . 36.9 t -130.42 111.51 16.54 Favored Pre-proline 0 N--CA 1.455 -0.211 0 C-N-CA 123.12 0.568 . . . . 0.0 110.726 177.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.1 135.81 19.39 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.771 2.314 . . . . 0.0 110.305 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.8 t -148.64 147.94 29.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.747 0.419 . . . . 0.0 110.352 178.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.1 t -147.88 155.54 41.72 Favored 'General case' 0 C--O 1.23 0.04 0 C-N-CA 123.486 0.714 . . . . 0.0 110.365 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -150.68 169.72 20.94 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.2 t -146.82 152.81 39.36 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 122.78 0.432 . . . . 0.0 110.756 176.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -153.63 159.98 31.47 Favored Pre-proline 0 C--O 1.232 0.162 0 C-N-CA 124.018 0.927 . . . . 0.0 113.303 -175.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -59.33 153.38 53.97 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 123.349 2.699 . . . . 0.0 111.522 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -82.83 14.35 3.3 Favored 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -92.65 149.62 21.21 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.47 5.28 87.09 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 119.157 -0.802 . . . . 0.0 113.061 176.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.499 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -149.07 173.77 13.03 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 118.652 1.226 . . . . 0.0 111.197 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 t -143.63 162.28 36.32 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.16 -22.85 61.59 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 -176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.7 t -75.21 -22.31 58.03 Favored 'General case' 0 CA--C 1.53 0.202 0 O-C-N 122.212 -0.305 . . . . 0.0 111.581 179.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -89.66 120.94 69.52 Favored Pre-proline 0 CA--C 1.531 0.223 0 C-N-CA 122.831 0.452 . . . . 0.0 111.729 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.46 153.55 39.71 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 123.089 2.526 . . . . 0.0 110.171 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.12 153.26 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.448 ' CD2' HD22 ' A' ' 67' ' ' ASN . 29.0 m80 -135.94 127.77 29.29 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 171.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -103.88 157.44 17.31 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 178.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -151.08 148.35 28.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -122.12 148.55 44.76 Favored 'General case' 0 N--CA 1.457 -0.083 0 C-N-CA 122.978 0.511 . . . . 0.0 111.831 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -145.57 154.39 42.11 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.063 0.545 . . . . 0.0 110.746 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -75.78 147.53 39.16 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.39 137.06 58.12 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.28 -5.64 82.75 Favored Glycine 0 CA--C 1.531 1.088 0 CA-C-O 119.505 -0.608 . . . . 0.0 112.959 -177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -72.72 168.26 19.12 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 176.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.2 mmt-85 -122.91 97.71 43.5 Favored Pre-proline 0 C--O 1.232 0.134 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 174.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.4 -7.44 20.95 Favored 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.702 2.935 . . . . 0.0 112.583 -172.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.533 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 11.1 m-85 -82.77 -4.66 58.26 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -152.57 -23.67 0.17 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -82.48 156.41 24.09 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-N 118.399 0.545 . . . . 0.0 111.164 175.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.86 145.81 58.31 Favored Pre-proline 0 N--CA 1.455 -0.192 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 174.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -72.18 156.78 55.01 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 123.237 2.625 . . . . 0.0 109.83 175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -77.25 -22.79 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 O-C-N 121.843 -0.536 . . . . 0.0 109.579 172.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.02 147.95 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.144 0.578 . . . . 0.0 109.545 178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.2 t -157.67 157.55 33.77 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.881 0.372 . . . . 0.0 111.729 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -81.45 -11.17 59.32 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.067 0.547 . . . . 0.0 111.318 174.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.448 HD22 ' CD2' ' A' ' 47' ' ' HIS . 2.1 m120 -62.72 133.78 95.13 Favored Pre-proline 0 C--N 1.34 0.159 0 CA-C-N 117.996 0.362 . . . . 0.0 111.347 -178.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -77.42 -20.08 12.71 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.131 2.554 . . . . 0.0 111.614 174.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -110.37 -25.27 10.17 Favored 'General case' 0 C--N 1.342 0.276 0 N-CA-C 116.429 2.011 . . . . 0.0 116.429 -175.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -76.07 139.36 41.35 Favored 'General case' 0 N--CA 1.458 -0.056 0 O-C-N 122.04 -0.413 . . . . 0.0 110.362 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -79.1 174.43 11.57 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.891 0.476 . . . . 0.0 110.481 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -135.96 162.93 35.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.139 0 C-N-CA 123.238 0.615 . . . . 0.0 111.513 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -53.74 141.18 27.45 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 122.496 0.318 . . . . 0.0 111.276 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.66 -25.92 63.21 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -82.34 -5.06 58.35 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.923 0.329 . . . . 0.0 110.878 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.437 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -124.59 4.57 8.25 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 178.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -61.96 121.04 11.98 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 -8.32 20.17 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.24 179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -99.16 -29.3 12.93 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.345 1.073 . . . . 0.0 111.645 178.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.437 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.0 m-85 -104.52 127.74 52.31 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.38 139.21 25.46 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -74.6 154.42 38.56 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 123.074 0.549 . . . . 0.0 109.794 175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.525 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.8 mt -131.51 173.17 11.37 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.248 1.019 . . . . 0.0 110.076 -178.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.66 -179.03 52.77 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 121.212 0.34 . . . . 0.0 113.143 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.77 131.77 34.39 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -177.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.38 -38.7 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.076 0 C-N-CA 123.447 0.699 . . . . 0.0 111.042 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -83.48 -5.49 59.18 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.66 0.384 . . . . 0.0 110.999 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.5 t -100.43 10.53 41.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.352 0.661 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 57.11 33.44 23.33 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.303 0.641 . . . . 0.0 112.473 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -78.55 128.31 33.36 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.587 174.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.0 p -112.81 15.1 19.94 Favored 'General case' 0 C--O 1.232 0.136 0 C-N-CA 123.152 0.581 . . . . 0.0 111.084 174.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.7 m -53.44 150.44 6.59 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.011 0.524 . . . . 0.0 111.063 -175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -135.82 150.52 49.45 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.382 -174.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.525 ' HB2' HD11 ' A' ' 83' ' ' LEU . 27.0 t -127.08 133.74 50.38 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 122.978 0.511 . . . . 0.0 109.763 172.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -103.64 137.99 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 171.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -126.99 146.38 50.36 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.079 0.552 . . . . 0.0 109.88 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.1 t0 48.52 53.26 12.38 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.1 141.71 45.03 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -174.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -137.68 163.84 30.3 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 124.161 0.984 . . . . 0.0 109.567 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -60.2 -16.35 32.5 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -171.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.29 -7.08 59.62 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 118.224 0.466 . . . . 0.0 111.48 177.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -90.55 -18.74 24.72 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.97 134.76 49.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 122.936 0.494 . . . . 0.0 109.821 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.45 -147.51 17.49 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.293 -1.123 . . . . 0.0 110.293 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.1 t -127.51 152.48 47.53 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.983 0.513 . . . . 0.0 110.642 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -139.79 161.03 38.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.455 1.102 . . . . 0.0 111.479 -177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -144.1 155.64 44.03 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 175.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -102.87 160.61 14.45 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 114.46 1.282 . . . . 0.0 114.46 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -140.78 150.41 43.31 Favored 'General case' 0 C--N 1.335 -0.053 0 O-C-N 121.952 -0.468 . . . . 0.0 110.512 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -124.01 134.84 53.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.438 1.095 . . . . 0.0 110.255 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -139.97 131.97 27.82 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 169.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -153.92 111.65 3.51 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.47 -124.43 35.94 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 109.015 -1.634 . . . . 0.0 109.015 -172.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 t -82.56 -11.42 58.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.172 0.589 . . . . 0.0 111.88 178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 44.9 tpp -65.64 137.01 57.05 Favored 'General case' 0 C--N 1.339 0.118 0 O-C-N 121.809 -0.557 . . . . 0.0 111.519 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.12 124.75 11.09 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.612 1.165 . . . . 0.0 109.503 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.462 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.2 t-105 -160.98 127.62 4.03 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 118.276 0.489 . . . . 0.0 111.182 175.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 m -96.16 130.09 43.29 Favored 'General case' 0 CA--C 1.521 -0.149 0 C-N-CA 123.102 0.561 . . . . 0.0 109.54 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -82.17 77.46 8.97 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -146.42 162.68 37.73 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 89.4 p -77.88 156.61 30.25 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.64 -164.21 1.69 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.247 1.419 . . . . 0.0 110.111 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -49.43 7.58 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 125.492 1.517 . . . . 0.0 113.007 -177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.74 -15.26 3.1 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -79.04 137.52 37.58 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -135.21 141.45 45.82 Favored 'General case' 0 C--O 1.227 -0.081 0 C-N-CA 122.916 0.486 . . . . 0.0 110.413 -176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.7 t -153.2 162.04 41.75 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 178.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -76.6 155.63 33.39 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 123.554 0.742 . . . . 0.0 111.769 -175.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -136.2 171.31 14.66 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 124.528 1.131 . . . . 0.0 110.938 -178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.61 123.25 49.49 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.753 0.821 . . . . 0.0 109.993 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 66.0 m -100.23 131.38 46.2 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 170.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.43 148.16 13.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 172.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.51 154.96 47.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 -178.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 51.9 t -133.39 142.84 40.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 C-N-CA 122.982 0.513 . . . . 0.0 110.446 -178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.7 t -142.67 145.29 33.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.267 0.627 . . . . 0.0 112.687 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.65 41.56 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.937 -0.477 . . . . 0.0 110.904 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.582 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.83 -19.28 65.83 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 173.127 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.33 1.1 t 53.89 18.02 1.5 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 117.108 2.262 . . . . 0.0 117.108 173.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -146.37 171.39 15.08 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 121.883 -0.511 . . . . 0.0 110.415 178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -178.08 177.22 48.35 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.0 t -156.15 -176.54 6.02 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.024 0.529 . . . . 0.0 109.659 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.83 -9.75 55.89 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.131 0.972 . . . . 0.0 111.91 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 62.76 133.52 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 125.434 1.494 . . . . 0.0 114.256 -177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.14 124.05 15.28 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.969 2.446 . . . . 0.0 111.044 176.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 47.7 mtm105 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.727 -177.014 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.533 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.462 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.8 tpp . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -76.09 -5.82 48.31 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.41 -166.47 54.6 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -158.04 164.06 37.09 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -154.88 170.02 22.65 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 123.06 0.544 . . . . 0.0 110.57 -178.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.01 140.52 58.87 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.28 0.632 . . . . 0.0 109.82 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -57.67 132.89 54.6 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.14 12.22 84.82 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.833 -0.426 . . . . 0.0 113.189 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -55.85 129.62 40.25 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 118.436 1.118 . . . . 0.0 112.573 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.07 -6.52 83.56 Favored Glycine 0 CA--C 1.528 0.859 0 CA-C-O 119.51 -0.605 . . . . 0.0 111.873 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -101.9 104.01 14.7 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.693 0.746 . . . . 0.0 110.388 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.448 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.01 162.58 35.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.152 0.501 . . . . 0.0 110.832 176.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -147.7 146.81 29.41 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.11 -174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.448 HE22 HD23 ' A' ' 12' ' ' LEU . 21.7 mp0 -129.66 131.02 46.28 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.14 0.576 . . . . 0.0 109.552 177.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.0 p -152.74 160.23 3.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 122.943 0.497 . . . . 0.0 110.642 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -54.51 128.53 32.45 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 172.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -76.58 -27.55 55.86 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.43 122.35 5.92 Favored 'General case' 0 C--N 1.338 0.08 0 C-N-CA 122.854 0.461 . . . . 0.0 109.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.493 HG21 HG22 ' A' ' 29' ' ' VAL . 42.9 t -110.1 124.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.7 p -109.0 127.98 54.55 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 173.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -136.05 146.02 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.63 156.78 38.61 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.977 0.418 . . . . 0.0 110.843 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -73.32 128.16 34.7 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.821 -0.549 . . . . 0.0 109.903 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.81 1.75 59.91 Favored Glycine 0 CA--C 1.531 1.033 0 CA-C-O 118.618 -1.101 . . . . 0.0 114.56 175.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 179.6 5.99 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.448 1.624 . . . . 0.0 111.425 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.9 p -103.3 169.51 8.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -175.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -156.22 149.08 11.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.178 0.991 . . . . 0.0 110.64 178.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -101.72 144.22 30.68 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.712 0.805 . . . . 0.0 109.583 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.493 HG22 HG21 ' A' ' 19' ' ' VAL . 40.7 t -132.3 111.79 14.15 Favored Pre-proline 0 C--N 1.334 -0.069 0 C-N-CA 123.276 0.63 . . . . 0.0 110.897 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.57 136.21 18.99 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.905 2.403 . . . . 0.0 110.182 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.9 t -148.61 147.75 29.34 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.092 0.557 . . . . 0.0 110.329 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -148.02 155.53 41.6 Favored 'General case' 0 C--O 1.231 0.086 0 C-N-CA 123.313 0.645 . . . . 0.0 110.34 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -150.81 168.45 24.4 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.0 t -145.55 152.99 40.6 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.104 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -153.0 158.45 32.88 Favored Pre-proline 0 CA--C 1.529 0.152 0 C-N-CA 124.605 1.162 . . . . 0.0 112.856 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -62.82 153.32 73.51 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.773 2.315 . . . . 0.0 110.548 175.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -80.24 13.95 2.14 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -176.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -91.14 149.6 21.73 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.38 4.76 87.7 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 119.231 -0.76 . . . . 0.0 113.456 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -148.85 174.61 12.04 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.594 1.197 . . . . 0.0 111.22 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -144.8 162.35 36.99 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.772 -1.195 . . . . 0.0 107.772 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.89 -22.31 62.2 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.4 t -75.51 -19.23 59.5 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 122.134 -0.354 . . . . 0.0 111.523 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -94.39 121.81 62.64 Favored Pre-proline 0 N--CA 1.455 -0.188 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.99 153.77 37.42 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.935 2.423 . . . . 0.0 110.478 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.76 151.97 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -136.26 122.87 20.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.003 -0.435 . . . . 0.0 110.081 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.66 159.72 18.3 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 178.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -151.75 149.06 28.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -122.19 147.7 45.85 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.222 0.609 . . . . 0.0 112.186 173.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -145.18 153.77 41.72 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.058 0.543 . . . . 0.0 110.964 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -75.67 146.99 39.79 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.58 136.07 57.5 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.23 -7.23 80.86 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.497 -0.613 . . . . 0.0 112.905 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -70.46 160.73 31.84 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 177.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -113.02 97.44 42.26 Favored Pre-proline 0 CA--C 1.531 0.246 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.65 -9.06 25.2 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.646 2.898 . . . . 0.0 112.898 -171.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.522 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 6.7 m-85 -83.15 -6.58 59.53 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.43 -21.6 0.2 Allowed 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -84.33 156.43 21.9 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-N 118.363 0.529 . . . . 0.0 110.683 174.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.86 143.45 53.79 Favored Pre-proline 0 N--CA 1.451 -0.392 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -71.08 158.86 54.0 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 123.23 2.62 . . . . 0.0 109.578 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.4 m -79.33 -21.88 12.43 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 O-C-N 121.894 -0.504 . . . . 0.0 109.715 172.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.06 146.72 14.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 122.946 0.498 . . . . 0.0 109.72 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -157.25 157.62 34.6 Favored 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.19 0.306 . . . . 0.0 111.722 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -80.9 -15.91 55.01 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 122.908 0.483 . . . . 0.0 111.41 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -69.77 134.94 87.96 Favored Pre-proline 0 N--CA 1.455 -0.176 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.7 -24.46 11.73 Favored 'Trans proline' 0 N--CA 1.452 -0.918 0 C-N-CA 123.567 2.845 . . . . 0.0 111.429 173.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -95.53 -28.45 14.86 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 116.033 1.864 . . . . 0.0 116.033 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -77.04 134.28 38.84 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -79.72 174.7 11.32 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.17 162.03 36.67 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.064 0 C-N-CA 123.017 0.527 . . . . 0.0 111.945 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -55.09 140.9 36.57 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.887 0.375 . . . . 0.0 111.39 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.35 -24.85 63.05 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.673 -176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -82.67 -5.93 59.11 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 117.765 0.257 . . . . 0.0 111.033 178.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.444 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -125.25 5.83 7.78 Favored 'General case' 0 N--CA 1.462 0.149 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 178.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -60.95 119.87 9.1 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.06 -14.41 4.82 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 123.663 0.649 . . . . 0.0 113.526 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.9 mtm105 -89.58 -30.02 18.47 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 118.4 1.1 . . . . 0.0 111.273 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 5.7 m-85 -103.34 127.64 50.63 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 176.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -138.61 135.71 35.22 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.36 154.0 39.03 Favored 'General case' 0 C--N 1.335 -0.065 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.1 mt -136.5 174.0 11.1 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.44 0.696 . . . . 0.0 110.337 -176.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.04 -177.95 52.86 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 122.965 0.317 . . . . 0.0 112.411 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -87.01 130.96 34.23 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.33 -38.64 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.394 0.677 . . . . 0.0 110.776 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.2 m95 -83.51 -4.22 58.34 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.475 0.31 . . . . 0.0 111.004 -175.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.3 t -101.14 10.4 40.93 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.502 0.721 . . . . 0.0 111.367 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 56.25 34.47 24.07 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.486 0.714 . . . . 0.0 112.312 -175.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -78.67 127.85 32.67 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 174.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.1 p -113.03 15.07 19.7 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.019 0.528 . . . . 0.0 110.987 175.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.7 m -52.64 150.24 5.29 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.041 0.537 . . . . 0.0 111.354 -175.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.2 tp -135.23 151.64 50.8 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 123.296 0.639 . . . . 0.0 110.342 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 83' ' ' LEU . 11.9 t -126.83 138.88 53.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.459 0.704 . . . . 0.0 109.548 172.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -111.54 135.9 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -126.36 147.5 49.74 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 122.714 0.406 . . . . 0.0 110.02 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.8 t0 47.76 53.12 11.78 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.91 142.68 40.5 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -173.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -136.82 163.0 31.66 Favored 'General case' 0 C--O 1.226 -0.178 0 C-N-CA 124.299 1.04 . . . . 0.0 109.294 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.39 -15.06 22.47 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -173.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -82.99 -6.08 59.35 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.239 0.472 . . . . 0.0 111.774 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -91.68 -17.71 25.06 Favored 'General case' 0 C--N 1.341 0.204 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -70.21 135.31 48.92 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.777 0.431 . . . . 0.0 109.95 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.21 -148.18 19.13 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.7 t -126.09 152.84 45.33 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 122.875 0.47 . . . . 0.0 110.679 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -140.73 161.39 37.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.098 0.959 . . . . 0.0 111.135 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -144.26 155.31 43.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -101.76 159.17 15.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 64.5 ttt-85 -142.32 152.25 42.76 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.119 0.418 . . . . 0.0 110.822 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.5 tp -128.58 137.17 51.58 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.76 0.824 . . . . 0.0 111.27 -171.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -139.79 136.2 33.84 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 123.877 0.871 . . . . 0.0 109.122 168.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -155.36 110.38 3.0 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.55 -123.71 34.17 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.064 -1.614 . . . . 0.0 109.064 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.0 t -82.46 -11.0 58.8 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.011 0.524 . . . . 0.0 112.074 177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -65.67 136.52 56.4 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 118.26 0.482 . . . . 0.0 111.486 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -147.94 123.41 10.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.894 1.278 . . . . 0.0 109.117 177.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.439 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.9 t-105 -159.88 132.2 6.44 Favored 'General case' 0 CA--C 1.523 -0.066 0 CA-C-N 118.319 0.509 . . . . 0.0 110.994 175.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 14.6 m -100.65 128.48 46.68 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -82.22 78.23 8.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -147.05 152.26 38.25 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.214 0.606 . . . . 0.0 110.139 -177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.8 p -71.19 151.59 44.2 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 120.755 0.312 . . . . 0.0 110.87 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -144.71 -158.44 0.89 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.206 0.603 . . . . 0.0 109.651 -177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.39 -50.54 16.46 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.192 0.997 . . . . 0.0 112.694 -174.014 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.26 -18.41 2.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -75.15 141.07 43.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -138.28 141.45 39.84 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.765 0.426 . . . . 0.0 110.043 -175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.5 t -155.1 162.78 40.92 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -76.29 157.49 32.47 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.476 0.71 . . . . 0.0 112.006 -174.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -136.6 171.15 14.92 Favored 'General case' 0 N--CA 1.462 0.157 0 C-N-CA 124.352 1.061 . . . . 0.0 111.14 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -113.83 124.53 52.47 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.75 0.82 . . . . 0.0 109.627 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 69.5 m -101.74 131.29 48.1 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.6 t -108.91 148.12 13.02 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.26 154.39 46.84 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 107.464 -1.309 . . . . 0.0 107.464 -178.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.5 t -133.31 142.39 42.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 122.921 0.488 . . . . 0.0 110.297 -177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.92 146.46 35.72 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.87 150.54 39.16 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.863 0.363 . . . . 0.0 111.233 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.614 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.35 -19.22 65.75 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 173.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER 54.07 14.53 0.73 Allowed 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 118.176 2.658 . . . . 0.0 118.176 171.813 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -143.05 19.84 1.94 Allowed 'General case' 0 CA--C 1.529 0.156 0 O-C-N 121.664 -0.648 . . . . 0.0 112.317 -178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 167.43 174.0 36.1 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.6 p -80.72 177.33 9.09 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.272 0.629 . . . . 0.0 110.223 175.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.25 -5.47 27.89 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.476 0.311 . . . . 0.0 111.786 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.6 134.45 86.38 Favored Pre-proline 0 CA--C 1.531 0.229 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.67 160.14 50.72 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.229 2.619 . . . . 0.0 111.272 -179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 . . . . . 0 C--O 1.252 1.19 0 CA-C-O 117.178 -1.391 . . . . 0.0 110.061 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.522 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.439 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.8 mtm . . . . . 0 N--CA 1.476 0.845 0 CA-C-O 120.415 0.15 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -78.36 -5.4 52.14 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.614 0.366 . . . . 0.0 111.834 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.3 174.39 49.96 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 123.263 0.458 . . . . 0.0 112.069 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -65.26 152.0 44.79 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 114.53 1.307 . . . . 0.0 114.53 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.6 ptp180 -71.76 168.51 17.65 Favored 'General case' 0 CA--C 1.526 0.051 0 C-N-CA 123.483 0.713 . . . . 0.0 110.885 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -63.75 143.11 58.1 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.835 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -57.84 134.13 56.03 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.68 8.52 86.27 Favored Glycine 0 CA--C 1.526 0.747 0 CA-C-O 119.905 -0.386 . . . . 0.0 113.091 -178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -57.82 132.48 53.48 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.325 1.062 . . . . 0.0 110.927 176.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.32 -9.42 77.53 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-O 119.511 -0.605 . . . . 0.0 112.06 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -101.11 105.54 16.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.692 0.746 . . . . 0.0 110.179 174.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.423 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.89 161.27 38.39 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.411 0.625 . . . . 0.0 110.552 176.476 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -146.12 147.03 31.12 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.368 0.667 . . . . 0.0 109.91 -174.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.423 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.24 129.36 43.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.136 0.574 . . . . 0.0 109.747 176.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -152.75 160.04 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 122.991 0.517 . . . . 0.0 110.129 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -56.42 128.05 34.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -76.6 -26.0 54.53 Favored 'General case' 0 C--O 1.227 -0.092 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -171.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -153.96 122.99 6.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.219 0.533 . . . . 0.0 109.937 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG21 HG22 ' A' ' 29' ' ' VAL . 41.0 t -112.53 127.76 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.74 128.98 56.63 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 169.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.4 p -133.85 146.93 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.09 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.428 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.04 155.76 39.96 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.152 0.501 . . . . 0.0 110.372 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -73.12 127.28 32.14 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.62 1.51 57.64 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 118.647 -1.085 . . . . 0.0 114.903 175.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.43 179.55 6.06 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.418 1.609 . . . . 0.0 111.454 176.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.5 p -102.58 167.45 9.91 Favored 'General case' 0 CA--C 1.528 0.107 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.34 148.94 12.97 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 C-N-CA 123.972 0.909 . . . . 0.0 110.664 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -101.85 142.9 32.45 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.612 0.765 . . . . 0.0 109.762 178.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.503 HG22 HG21 ' A' ' 19' ' ' VAL . 47.5 t -131.31 111.78 15.42 Favored Pre-proline 0 C--N 1.338 0.092 0 C-N-CA 122.945 0.498 . . . . 0.0 110.731 177.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -75.21 135.82 19.18 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.034 2.489 . . . . 0.0 109.961 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.472 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.7 t -148.39 147.26 29.01 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 122.973 0.509 . . . . 0.0 109.918 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.8 t -148.19 155.85 41.88 Favored 'General case' 0 N--CA 1.46 0.043 0 C-N-CA 123.683 0.793 . . . . 0.0 110.244 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -151.5 170.15 20.32 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.9 t -147.77 153.98 39.92 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.926 176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -152.63 160.6 30.93 Favored Pre-proline 0 CA--C 1.53 0.182 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -174.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.61 151.77 52.66 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.409 2.74 . . . . 0.0 111.751 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.422 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.24 36.07 0.87 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.141 0.576 . . . . 0.0 112.448 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -130.75 157.04 43.9 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.82 4.51 82.32 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 123.119 0.39 . . . . 0.0 112.157 -177.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.422 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.7 p-90 -152.82 175.06 13.3 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 117.729 0.764 . . . . 0.0 110.686 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -144.44 162.96 35.21 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -60.74 -23.08 64.67 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -76.54 -15.2 59.93 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 122.084 -0.385 . . . . 0.0 111.788 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -98.47 119.64 61.08 Favored Pre-proline 0 N--CA 1.454 -0.273 0 CA-C-O 119.286 -0.387 . . . . 0.0 111.701 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -74.39 152.92 44.66 Favored 'Trans proline' 0 N--CA 1.45 -1.031 0 C-N-CA 122.958 2.439 . . . . 0.0 110.48 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -74.16 152.35 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -135.63 129.05 32.23 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 173.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.21 156.43 16.33 Favored Glycine 0 CA--C 1.525 0.697 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.574 -179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -150.27 146.63 26.91 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.89 145.96 44.26 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 173.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -141.77 153.28 44.45 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -80.15 142.0 35.19 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.16 137.7 58.06 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.915 -0.49 . . . . 0.0 110.922 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.17 -2.33 88.26 Favored Glycine 0 CA--C 1.53 1.016 0 CA-C-O 118.966 -0.908 . . . . 0.0 114.344 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 39.0 p30 -87.0 -170.07 2.9 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 119.175 1.487 . . . . 0.0 108.112 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -126.57 110.88 22.97 Favored Pre-proline 0 C--O 1.23 0.043 0 C-N-CA 123.309 0.643 . . . . 0.0 109.847 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.23 -11.42 26.87 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 123.515 2.81 . . . . 0.0 111.615 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.555 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 15.3 m-85 -85.98 -5.72 59.17 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -177.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -135.35 -32.54 0.93 Allowed 'General case' 0 C--N 1.339 0.136 0 CA-C-N 118.64 0.654 . . . . 0.0 111.531 -178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -94.55 158.15 15.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.9 147.43 70.37 Favored Pre-proline 0 N--CA 1.453 -0.287 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 175.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.69 158.24 57.73 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.477 2.785 . . . . 0.0 110.21 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 22.5 m -79.22 -20.29 12.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 173.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.36 145.38 13.08 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 122.862 0.465 . . . . 0.0 109.854 178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -159.61 156.36 27.82 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.796 0.332 . . . . 0.0 111.869 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -89.05 -4.63 58.31 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.363 0.665 . . . . 0.0 111.665 174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.31 136.67 84.08 Favored Pre-proline 0 N--CA 1.453 -0.295 0 O-C-N 122.047 -0.408 . . . . 0.0 110.686 -178.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.6 -23.39 11.29 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.174 2.583 . . . . 0.0 111.694 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -100.7 -27.23 13.48 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 116.277 1.955 . . . . 0.0 116.277 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -77.74 133.97 38.17 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -82.1 176.41 9.54 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.088 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.3 m -134.33 161.66 40.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 C-N-CA 123.009 0.523 . . . . 0.0 112.208 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -56.33 142.28 38.53 Favored 'General case' 0 C--O 1.231 0.117 0 C-N-CA 122.787 0.435 . . . . 0.0 111.413 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.59 -25.17 62.94 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.662 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -82.33 -8.46 59.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 117.909 0.322 . . . . 0.0 110.928 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.44 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.1 p -122.53 5.75 9.55 Favored 'General case' 0 C--N 1.34 0.165 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.51 119.77 9.24 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 -175.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.27 -14.1 5.4 Favored Glycine 0 CA--C 1.53 0.996 0 C-N-CA 123.877 0.751 . . . . 0.0 112.955 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.4 mtm105 -90.05 -29.31 18.47 Favored 'General case' 0 CA--C 1.522 -0.101 0 CA-C-N 118.615 1.207 . . . . 0.0 111.367 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.44 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.52 127.79 53.59 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -147.1 142.41 27.36 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.96 154.06 39.49 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.578 0.751 . . . . 0.0 109.643 175.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.5 mt -132.74 171.81 13.39 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.122 0.969 . . . . 0.0 110.445 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.43 -178.33 53.75 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-O 121.37 0.428 . . . . 0.0 112.751 175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -88.82 132.79 34.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 67.4 mt -62.57 -39.32 84.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.668 0.787 . . . . 0.0 110.993 -178.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.97 -4.14 57.94 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.709 0.404 . . . . 0.0 110.87 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.0 t -102.17 10.8 39.1 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.305 0.642 . . . . 0.0 111.185 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 56.38 33.84 23.11 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.218 0.607 . . . . 0.0 112.431 -176.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -78.74 128.92 34.07 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.709 175.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.472 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -113.9 14.84 18.61 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.17 0.588 . . . . 0.0 110.921 174.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -53.2 150.22 6.27 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.306 0.642 . . . . 0.0 111.027 -175.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.5 tp -135.14 150.27 50.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.653 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.47 ' HB2' HD11 ' A' ' 83' ' ' LEU . 17.0 t -125.62 134.49 51.88 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 122.949 0.5 . . . . 0.0 109.693 173.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -107.14 136.95 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 172.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.9 mtp180 -128.15 148.49 50.6 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.8 t0 48.55 53.31 12.33 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.82 143.71 36.03 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -173.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -138.94 162.78 34.01 Favored 'General case' 0 C--O 1.227 -0.123 0 C-N-CA 124.311 1.044 . . . . 0.0 109.298 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.88 -15.71 33.66 Favored 'General case' 0 C--N 1.334 -0.079 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -173.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -83.39 -4.82 58.84 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 118.228 0.467 . . . . 0.0 111.911 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -91.83 -19.26 22.72 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 118.393 0.542 . . . . 0.0 109.585 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -67.36 137.03 55.68 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.765 -0.458 . . . . 0.0 109.765 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.27 -151.08 23.19 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -124.57 153.13 42.61 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 117.101 0.451 . . . . 0.0 110.955 177.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -140.51 161.03 38.71 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.253 1.021 . . . . 0.0 111.692 -176.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -144.66 157.41 44.21 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 175.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -105.06 156.02 18.45 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.438 HH22 HOB1 ' A' ' 205' ' ' SIA . 15.5 ttm-85 -132.01 144.05 50.51 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-O 121.222 0.534 . . . . 0.0 111.223 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -119.06 130.11 55.45 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.779 1.232 . . . . 0.0 109.57 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -139.41 130.72 26.8 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 169.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.81 112.7 3.7 Favored 'General case' 0 C--O 1.226 -0.153 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.15 -124.77 36.9 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 108.873 -1.691 . . . . 0.0 108.873 -173.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.5 m -83.98 -7.19 59.47 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.289 0.478 . . . . 0.0 112.289 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.6 tpp -68.53 137.07 54.06 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.377 0.535 . . . . 0.0 111.149 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -146.71 126.41 13.41 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 124.811 1.244 . . . . 0.0 109.828 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.409 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 63.2 t-105 -161.62 155.2 21.5 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 174.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.8 p -138.46 132.87 31.98 Favored 'General case' 0 CA--C 1.519 -0.248 0 C-N-CA 123.29 0.636 . . . . 0.0 109.325 175.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -83.08 78.33 9.61 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -171.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.2 pttp -145.05 163.13 35.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 92.8 p -75.3 157.69 33.98 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -140.36 -164.37 1.7 Allowed 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.286 1.435 . . . . 0.0 109.684 177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -43.99 -48.58 8.73 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.685 1.194 . . . . 0.0 113.064 -176.39 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.93 -15.83 2.96 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 177.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -76.43 139.93 41.09 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -135.71 141.39 44.91 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.41 0.684 . . . . 0.0 110.439 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -155.43 163.86 39.49 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -80.22 155.85 27.17 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.859 0.864 . . . . 0.0 111.583 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -137.18 173.7 11.4 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 124.43 1.092 . . . . 0.0 111.333 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.15 124.63 51.97 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.847 0.859 . . . . 0.0 110.009 -178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.9 m -102.63 131.62 49.28 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 171.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.3 t -109.3 148.42 13.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.0 155.38 45.44 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 -176.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.07 142.87 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.201 0.6 . . . . 0.0 110.281 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.5 t -141.18 146.9 37.54 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 123.322 0.649 . . . . 0.0 112.397 177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.81 150.31 37.74 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 121.864 -0.523 . . . . 0.0 111.058 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.88 -23.6 67.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.71 0.404 . . . . 0.0 109.93 173.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER 54.43 13.78 0.7 Allowed 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 172.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.52 174.76 12.57 Favored 'General case' 0 C--O 1.233 0.185 0 O-C-N 121.521 -0.737 . . . . 0.0 111.073 -179.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -174.73 -179.59 45.41 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.1 p -69.51 165.08 21.75 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.101 0.56 . . . . 0.0 111.014 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.59 1.27 17.31 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.195 0.598 . . . . 0.0 112.093 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.508 HG12 ' H ' ' A' ' 145' ' ' ARG . 60.2 t -64.73 135.86 96.55 Favored Pre-proline 0 CA--C 1.532 0.262 0 C-N-CA 123.252 0.621 . . . . 0.0 109.684 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.9 -21.49 43.85 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 123.554 2.836 . . . . 0.0 112.446 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.508 ' H ' HG12 ' A' ' 143' ' ' VAL . 88.8 mtm-85 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.0 -1.476 . . . . 0.0 111.991 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.555 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.438 HOB1 HH22 ' A' ' 109' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HG2' ' H ' ' A' ' 3' ' ' GLY . 56.7 ttm . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.1 mp0 -71.73 -1.71 14.86 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.555 0.742 . . . . 0.0 112.691 -177.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.457 ' H ' ' HG2' ' A' ' 1' ' ' MET . . . 74.37 -170.46 53.54 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.942 -0.463 . . . . 0.0 111.942 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.4 t0 -157.22 156.75 33.09 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -74.09 170.28 15.79 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.644 0.777 . . . . 0.0 110.68 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.74 140.12 58.83 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.1 178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.27 133.08 54.79 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 173.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.8 84.27 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.781 -0.455 . . . . 0.0 112.916 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -54.85 129.92 39.15 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.419 1.109 . . . . 0.0 112.723 175.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.78 -8.46 79.79 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-O 119.749 -0.473 . . . . 0.0 112.038 179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -100.43 104.91 16.34 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 117.713 0.756 . . . . 0.0 110.17 174.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.94 161.1 38.82 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.184 0.516 . . . . 0.0 110.574 176.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 tt -146.9 147.12 30.46 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.092 -175.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -130.79 130.09 43.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.407 0.683 . . . . 0.0 109.78 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -152.55 160.16 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.064 0.545 . . . . 0.0 110.755 -178.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.24 127.09 27.7 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 173.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.73 -27.2 60.26 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.81 123.02 6.51 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 121.098 0.475 . . . . 0.0 109.875 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.517 HG21 HG22 ' A' ' 29' ' ' VAL . 42.1 t -111.13 128.49 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.279 1.3 p -114.79 128.78 56.49 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 169.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.6 p -133.71 146.77 31.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 123.271 0.629 . . . . 0.0 110.175 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.58 155.77 40.16 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.868 0.366 . . . . 0.0 110.707 176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -72.85 128.25 34.95 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.712 -0.618 . . . . 0.0 109.991 176.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.93 1.92 59.66 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-O 118.49 -1.172 . . . . 0.0 114.607 175.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.7 178.23 7.01 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.687 1.743 . . . . 0.0 111.278 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.5 p -100.99 169.14 9.16 Favored 'General case' 0 C--N 1.339 0.142 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.6 p -155.05 155.4 5.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 124.51 1.124 . . . . 0.0 110.768 178.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.453 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.7 t60 -108.92 143.01 38.72 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.811 0.844 . . . . 0.0 110.059 178.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.517 HG22 HG21 ' A' ' 19' ' ' VAL . 40.5 t -131.3 111.62 15.4 Favored Pre-proline 0 CA--C 1.527 0.084 0 C-N-CA 123.188 0.595 . . . . 0.0 110.97 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -74.82 135.72 19.81 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.709 2.273 . . . . 0.0 110.341 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.6 t -148.98 145.37 27.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.74 0.416 . . . . 0.0 110.413 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.8 m -145.26 153.47 41.34 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.157 0.983 . . . . 0.0 110.434 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -150.85 170.78 18.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.073 0.397 . . . . 0.0 111.934 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -148.7 154.86 40.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.898 0.479 . . . . 0.0 111.151 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -152.82 160.94 30.39 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.904 0.882 . . . . 0.0 113.342 -175.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.41 150.52 67.32 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.558 2.838 . . . . 0.0 112.034 176.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.439 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -87.99 36.12 0.76 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.231 0.612 . . . . 0.0 112.636 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -129.66 157.0 43.33 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.4 3.21 81.86 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.052 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.439 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.4 p-90 -150.25 175.75 11.5 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.954 0.877 . . . . 0.0 111.381 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -142.57 160.29 40.58 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -63.99 -19.86 65.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.337 0.655 . . . . 0.0 110.514 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.1 p -78.28 -16.13 58.08 Favored 'General case' 0 CA--C 1.528 0.101 0 O-C-N 122.314 -0.241 . . . . 0.0 111.488 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.33 120.54 60.78 Favored Pre-proline 0 N--CA 1.454 -0.266 0 C-N-CA 123.338 0.655 . . . . 0.0 112.384 177.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.82 153.38 48.05 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 122.86 2.373 . . . . 0.0 110.527 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.0 152.69 6.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -136.42 131.22 33.82 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.494 172.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.0 156.98 15.59 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -150.23 147.81 28.14 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -118.06 147.26 43.42 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 122.902 0.481 . . . . 0.0 112.263 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -143.17 151.93 41.2 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.442 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 69.6 mtt-85 -79.42 141.46 36.81 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.37 134.06 56.28 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.229 -0.295 . . . . 0.0 110.947 -177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.76 -3.44 84.9 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 118.793 -1.004 . . . . 0.0 114.119 176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 41.2 p30 -85.22 -176.31 6.1 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.508 1.654 . . . . 0.0 108.41 178.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.0 mmt85 -120.16 100.96 47.6 Favored Pre-proline 0 CA--C 1.53 0.175 0 C-N-CA 122.77 0.428 . . . . 0.0 109.96 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -70.47 -9.07 25.07 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.528 2.819 . . . . 0.0 112.303 -174.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.517 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 19.9 m-85 -81.41 -6.58 59.07 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -176.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -153.18 -21.67 0.15 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -82.14 157.64 23.96 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.512 0.596 . . . . 0.0 110.708 175.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.57 144.67 70.09 Favored Pre-proline 0 N--CA 1.453 -0.304 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -72.77 157.95 51.1 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.206 2.604 . . . . 0.0 109.44 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.79 -21.48 12.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 O-C-N 121.908 -0.495 . . . . 0.0 109.996 173.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.2 146.22 13.83 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t -160.0 157.06 28.11 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 122.603 0.361 . . . . 0.0 111.755 178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -89.65 -2.11 58.2 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.115 0.566 . . . . 0.0 111.598 175.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -65.03 139.24 97.71 Favored Pre-proline 0 N--CA 1.455 -0.195 0 O-C-N 121.994 -0.441 . . . . 0.0 111.398 178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -78.54 -23.1 8.77 Favored 'Trans proline' 0 N--CA 1.45 -1.032 0 C-N-CA 123.341 2.694 . . . . 0.0 111.506 175.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -109.62 -26.7 9.76 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 -174.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -72.37 136.06 46.02 Favored 'General case' 0 C--N 1.338 0.095 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.4 pm0 -75.67 179.86 5.13 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.099 0.56 . . . . 0.0 110.727 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.68 160.39 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.523 0.729 . . . . 0.0 111.06 173.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -55.01 141.4 34.19 Favored 'General case' 0 C--O 1.23 0.067 0 CA-C-O 120.621 0.248 . . . . 0.0 111.496 -178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.45 62.57 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -85.46 -3.54 58.88 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 122.324 0.249 . . . . 0.0 111.235 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.422 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.2 p -127.75 6.18 6.13 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.3 120.08 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 -175.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.27 -13.75 4.48 Favored Glycine 0 CA--C 1.531 1.071 0 CA-C-O 119.262 -0.743 . . . . 0.0 113.333 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -89.92 -29.42 18.54 Favored 'General case' 0 C--N 1.34 0.164 0 CA-C-N 118.52 1.16 . . . . 0.0 111.241 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.7 m-85 -106.27 127.32 53.16 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.09 142.15 28.25 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.98 154.39 39.33 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.201 0.6 . . . . 0.0 109.534 175.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.7 mt -131.99 172.94 11.73 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.003 0.921 . . . . 0.0 110.459 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.63 -177.65 51.29 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 122.944 0.306 . . . . 0.0 112.608 176.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -87.16 142.28 28.03 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 115.027 1.491 . . . . 0.0 115.027 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.2 mt -69.66 -40.8 79.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 122.967 0.507 . . . . 0.0 111.049 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -81.91 -9.32 59.62 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.589 0.356 . . . . 0.0 110.925 -176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.3 t -95.69 8.29 43.87 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.234 0.614 . . . . 0.0 111.346 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 57.7 34.21 24.19 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.607 0.763 . . . . 0.0 112.671 -176.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -79.68 127.72 32.53 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.533 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.47 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.2 p -112.82 14.65 19.9 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 122.982 0.513 . . . . 0.0 111.073 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -53.31 150.49 6.24 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.303 0.641 . . . . 0.0 111.054 -176.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.8 tp -135.3 150.95 50.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.278 0.631 . . . . 0.0 110.454 -174.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.488 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.4 t -126.48 136.81 53.1 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.277 0.631 . . . . 0.0 109.933 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -109.31 138.13 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 172.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -127.34 147.47 50.25 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 122.919 0.488 . . . . 0.0 109.876 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.7 t0 48.33 52.18 13.9 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.74 142.68 39.48 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -174.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -136.95 162.36 33.5 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 124.418 1.087 . . . . 0.0 109.287 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.61 -14.44 20.34 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -85.89 -2.24 58.06 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.248 0.477 . . . . 0.0 111.401 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -95.85 -17.28 21.25 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.05 135.8 51.37 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.73 -148.94 20.54 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.212 -1.155 . . . . 0.0 110.212 -177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.3 t -125.72 151.97 45.93 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.039 0.535 . . . . 0.0 111.028 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.442 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 72.1 m-85 -139.7 161.22 38.05 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.101 0.96 . . . . 0.0 111.232 -177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -144.55 158.04 43.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -104.54 158.96 16.13 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.437 HH11 ' HB3' ' A' ' 118' ' ' SER . 45.9 ttt85 -138.2 149.99 46.33 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 121.836 -0.54 . . . . 0.0 110.746 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.3 tp -124.87 132.24 53.34 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.553 1.141 . . . . 0.0 110.401 -175.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -138.73 131.14 28.69 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 169.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -153.78 111.83 3.57 Favored 'General case' 0 C--O 1.228 -0.071 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.4 -123.53 32.94 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 108.757 -1.737 . . . . 0.0 108.757 -173.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -85.29 -6.81 59.23 Favored 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 50.1 tpp -68.35 136.82 53.98 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.2 0.455 . . . . 0.0 111.413 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -147.13 124.77 11.78 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.549 1.14 . . . . 0.0 109.116 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.491 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 59.4 t-105 -160.36 137.35 9.17 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 174.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.437 ' HB3' HH11 ' A' ' 109' ' ' ARG . 77.3 p -113.4 131.93 55.81 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 175.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -84.22 78.36 9.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -146.37 162.66 37.71 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.3 p -77.97 156.21 30.33 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -175.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -140.13 -164.37 1.69 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.424 1.489 . . . . 0.0 110.135 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.89 -49.62 8.29 Favored 'General case' 0 C--N 1.339 0.137 0 C-N-CA 124.97 1.308 . . . . 0.0 112.982 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.89 -15.3 3.03 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 178.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -78.41 138.05 38.3 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 176.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -135.5 141.43 45.29 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 122.839 0.456 . . . . 0.0 110.052 -175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.2 t -154.2 161.47 41.82 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.08 155.61 30.49 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.482 0.713 . . . . 0.0 111.913 -175.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -136.19 171.17 14.87 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.277 1.031 . . . . 0.0 111.16 -178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.5 tp -112.47 126.11 54.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.811 0.844 . . . . 0.0 109.739 -178.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.5 m -103.39 131.71 50.25 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.4 t -109.25 148.13 13.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.185 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 173.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.95 154.97 46.32 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 -177.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 49.0 t -134.96 142.87 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.183 0 C-N-CA 123.042 0.537 . . . . 0.0 110.414 -177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.94 146.0 35.17 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.217 0.607 . . . . 0.0 112.581 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.07 149.68 41.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 O-C-N 121.986 -0.446 . . . . 0.0 110.997 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.18 -23.52 67.12 Favored 'General case' 0 CA--C 1.528 0.134 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 174.217 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER 54.93 11.99 0.55 Allowed 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 117.84 2.533 . . . . 0.0 117.84 172.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.99 175.05 12.45 Favored 'General case' 0 C--O 1.232 0.168 0 O-C-N 121.735 -0.603 . . . . 0.0 111.697 -179.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -177.09 179.85 47.78 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.4 p -72.03 168.98 16.94 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 121.057 0.456 . . . . 0.0 110.949 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 80.5 mt -75.15 0.17 17.22 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 122.926 0.49 . . . . 0.0 111.62 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.41 ' CG1' ' HD2' ' A' ' 144' ' ' PRO . 3.5 t 65.56 139.3 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.374 0 C-N-CA 124.394 1.078 . . . . 0.0 113.396 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 143' ' ' VAL . 65.7 Cg_endo -66.24 174.6 5.85 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.833 2.356 . . . . 0.0 110.867 174.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 117.687 -1.149 . . . . 0.0 110.625 -179.822 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.517 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.491 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.632 0.253 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -69.63 155.53 40.36 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.765 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 76.08 2.34 71.77 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-O 119.687 -0.507 . . . . 0.0 112.75 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -63.76 129.9 42.01 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 118.002 0.901 . . . . 0.0 113.089 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.5 ptt180 -159.26 169.72 23.46 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.983 0.513 . . . . 0.0 110.39 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.27 140.63 58.73 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.093 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -57.57 132.73 54.09 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 172.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.67 11.46 85.42 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.786 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -54.83 130.72 42.08 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.431 1.115 . . . . 0.0 112.764 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.42 -9.14 78.12 Favored Glycine 0 CA--C 1.525 0.679 0 CA-C-O 119.444 -0.642 . . . . 0.0 111.975 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -100.09 105.27 16.89 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.919 0.859 . . . . 0.0 110.109 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.55 161.58 37.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.162 0.505 . . . . 0.0 110.423 176.3 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.8 tt -147.24 147.11 30.1 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.852 -175.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.434 HE22 HD23 ' A' ' 12' ' ' LEU . 22.3 mp0 -130.7 130.31 43.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.438 0.695 . . . . 0.0 109.809 177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -152.75 160.39 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.832 0.453 . . . . 0.0 110.842 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.47 127.97 29.92 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 173.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -76.52 -26.47 55.26 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -155.45 123.82 5.91 Favored 'General case' 0 C--O 1.227 -0.079 0 C-N-CA 122.713 0.405 . . . . 0.0 109.917 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.497 HG21 HG22 ' A' ' 29' ' ' VAL . 42.8 t -112.65 123.24 68.15 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.32 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.8 p -107.59 127.35 53.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 173.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.9 p -134.22 145.57 32.76 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.104 0 C-N-CA 122.791 0.436 . . . . 0.0 109.988 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -71.97 156.78 38.87 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.909 -0.494 . . . . 0.0 110.579 177.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -73.34 128.58 35.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.702 -0.624 . . . . 0.0 110.0 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.38 2.66 61.79 Favored Glycine 0 CA--C 1.533 1.189 0 CA-C-O 118.719 -1.045 . . . . 0.0 114.838 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.57 179.07 6.27 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 119.515 1.657 . . . . 0.0 111.674 175.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.9 p -102.08 168.13 9.58 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 -175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.6 p -154.04 153.91 7.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 124.361 1.064 . . . . 0.0 110.744 178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.435 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -107.04 143.27 35.39 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.687 0.795 . . . . 0.0 109.64 178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG22 HG21 ' A' ' 19' ' ' VAL . 28.1 t -131.52 111.26 15.05 Favored Pre-proline 0 C--O 1.231 0.123 0 C-N-CA 123.251 0.621 . . . . 0.0 110.937 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.07 135.73 19.34 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.794 2.329 . . . . 0.0 110.123 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.8 t -148.66 145.54 27.78 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.043 0.537 . . . . 0.0 110.393 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -146.06 152.9 40.07 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 124.079 0.951 . . . . 0.0 110.492 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -150.19 170.8 18.09 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.259 0.481 . . . . 0.0 112.189 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 39.7 t -148.3 154.64 40.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.079 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -154.27 159.62 31.78 Favored Pre-proline 0 CA--C 1.53 0.191 0 C-N-CA 124.298 1.039 . . . . 0.0 113.061 -174.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -59.51 154.21 49.52 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.435 2.757 . . . . 0.0 111.756 175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.8 13.25 3.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -91.93 151.16 20.65 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.49 5.03 88.93 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 119.385 -0.675 . . . . 0.0 113.553 176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.491 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.76 174.2 12.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 118.302 1.051 . . . . 0.0 111.361 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -143.89 162.46 36.05 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.43 -21.92 62.83 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.1 t -75.56 -23.36 56.55 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 122.09 -0.381 . . . . 0.0 111.642 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -87.96 122.22 70.21 Favored Pre-proline 0 C--O 1.232 0.134 0 C-N-CA 122.72 0.408 . . . . 0.0 111.244 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.26 151.72 34.28 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.86 2.373 . . . . 0.0 110.746 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.98 151.13 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -136.03 130.86 34.16 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.413 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.2 156.16 15.89 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -151.56 149.23 28.95 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -119.29 147.81 43.87 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.119 0.568 . . . . 0.0 112.13 174.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -141.7 153.45 44.67 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -77.71 137.48 38.52 Favored 'General case' 0 CA--C 1.527 0.058 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.92 136.79 57.99 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 122.035 -0.416 . . . . 0.0 110.85 -177.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.84 -4.87 84.25 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 118.877 -0.957 . . . . 0.0 114.163 177.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -86.07 178.9 7.08 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 119.243 1.521 . . . . 0.0 107.771 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -109.43 107.67 59.61 Favored Pre-proline 0 C--O 1.232 0.138 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.73 -10.57 26.71 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 123.437 2.758 . . . . 0.0 111.615 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.555 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 7.9 m-85 -87.54 -6.2 58.44 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 -178.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -130.07 -35.74 1.59 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 118.981 0.81 . . . . 0.0 111.398 -177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -89.48 154.61 19.89 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.83 151.09 86.54 Favored Pre-proline 0 N--CA 1.453 -0.293 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.16 154.61 61.97 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 123.139 2.56 . . . . 0.0 110.321 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.3 m -76.99 -19.92 14.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.26 147.85 14.66 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -154.44 157.72 38.88 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 122.565 0.346 . . . . 0.0 110.548 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.17 -6.4 56.97 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -70.91 138.26 85.22 Favored Pre-proline 0 N--CA 1.454 -0.23 0 O-C-N 121.981 -0.449 . . . . 0.0 111.917 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -76.99 -11.86 17.85 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.889 3.059 . . . . 0.0 111.826 174.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -114.24 -36.26 4.74 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -174.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -66.36 139.36 58.02 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 122.565 0.346 . . . . 0.0 110.725 -177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -81.42 173.85 12.03 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.113 0.565 . . . . 0.0 110.935 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.75 165.88 21.61 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 123.638 0.775 . . . . 0.0 111.39 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -55.51 143.76 28.37 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.818 0.447 . . . . 0.0 111.679 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.14 -26.14 61.98 Favored 'General case' 0 CA--C 1.53 0.197 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -82.7 -5.63 58.97 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 117.826 0.284 . . . . 0.0 110.91 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.433 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.9 p -125.3 5.29 7.75 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -61.71 120.97 11.69 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -174.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.57 -13.76 4.8 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 123.774 0.702 . . . . 0.0 112.974 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.9 mtm105 -91.65 -29.68 16.75 Favored 'General case' 0 C--N 1.338 0.101 0 CA-C-N 118.48 1.14 . . . . 0.0 111.281 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.433 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.27 127.59 53.35 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 176.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -147.02 142.09 27.1 Favored 'General case' 0 N--CA 1.462 0.134 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.82 154.56 39.46 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.08 0.552 . . . . 0.0 109.799 175.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.499 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.2 mt -131.04 170.92 13.84 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.14 0.976 . . . . 0.0 110.364 -179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.21 -176.64 54.0 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-O 121.189 0.327 . . . . 0.0 112.721 176.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -89.07 142.9 27.24 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.3 mt -68.45 -43.33 84.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.037 0.535 . . . . 0.0 111.089 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -81.24 -4.49 55.67 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.817 0.447 . . . . 0.0 110.864 -175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.4 t -99.63 8.14 44.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.489 0.715 . . . . 0.0 111.362 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 26.2 m-20 56.79 33.59 23.28 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -79.16 128.81 33.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.071 174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.11 14.5 18.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.907 0.483 . . . . 0.0 111.083 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -53.51 151.1 6.07 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.29 0.636 . . . . 0.0 111.093 -175.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.57 150.86 48.82 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.338 -173.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.499 ' HB2' HD11 ' A' ' 83' ' ' LEU . 26.3 t -126.75 136.12 52.0 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 172.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -107.79 136.99 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 96' ' ' ARG . 44.3 mtp180 -127.18 148.36 50.19 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.246 0.619 . . . . 0.0 109.888 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 45.6 t0 48.39 52.4 13.62 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.74 143.96 28.98 Favored 'General case' 0 C--N 1.341 0.208 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -172.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -137.18 161.7 35.45 Favored 'General case' 0 CA--C 1.521 -0.148 0 C-N-CA 123.957 0.903 . . . . 0.0 109.394 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -61.71 -15.62 42.09 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -173.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -84.58 -4.67 59.1 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.369 0.531 . . . . 0.0 111.936 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -90.09 -19.77 23.95 Favored 'General case' 0 C--O 1.231 0.085 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.3 ttpp -68.77 134.89 50.4 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 122.973 0.509 . . . . 0.0 109.931 177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.65 -148.44 19.46 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 31.4 t -126.45 153.34 45.18 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 122.899 0.48 . . . . 0.0 110.795 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -140.75 161.31 38.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.996 0.918 . . . . 0.0 111.442 -177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -143.01 155.99 44.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -102.04 158.81 15.89 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 114.567 1.321 . . . . 0.0 114.567 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -138.77 148.69 44.16 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 118.288 0.495 . . . . 0.0 110.832 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.13 134.29 54.21 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.721 1.209 . . . . 0.0 110.133 -175.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -139.62 132.52 29.3 Favored 'General case' 0 C--N 1.333 -0.131 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -153.81 110.73 3.4 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.81 -124.23 35.98 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 109.136 -1.585 . . . . 0.0 109.136 -172.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 44.7 t -82.38 -11.32 58.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.062 0.545 . . . . 0.0 111.694 177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.1 tpp -66.25 136.68 56.2 Favored 'General case' 0 C--N 1.339 0.134 0 O-C-N 121.802 -0.561 . . . . 0.0 111.334 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -148.06 126.24 12.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.915 1.286 . . . . 0.0 109.29 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.453 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.4 t-105 -161.69 127.73 3.7 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.185 0.448 . . . . 0.0 111.121 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.0 m -96.75 130.41 44.0 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.179 0.591 . . . . 0.0 109.562 172.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -82.12 78.14 8.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -146.58 162.51 38.22 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.4 p -77.42 156.24 31.28 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 -175.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -140.88 -164.55 1.76 Allowed 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.456 1.502 . . . . 0.0 110.091 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -43.93 -48.84 8.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 125.128 1.371 . . . . 0.0 112.797 -176.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.98 -16.15 2.9 Favored 'General case' 0 C--N 1.34 0.156 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -77.94 138.64 38.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -137.13 141.47 42.26 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.941 0.496 . . . . 0.0 110.253 -175.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.8 t -153.54 162.42 41.28 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 179.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -78.4 156.42 29.48 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.436 0.694 . . . . 0.0 111.75 -175.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -137.57 171.2 14.8 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.442 1.097 . . . . 0.0 110.869 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.4 tp -113.05 123.75 51.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.728 0.811 . . . . 0.0 109.964 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 63.5 m -100.83 130.69 46.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 170.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -108.94 148.29 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 172.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.44 154.91 46.82 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 58.8 t -132.91 142.96 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.903 0.481 . . . . 0.0 110.405 -178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.08 146.17 35.13 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.106 0.562 . . . . 0.0 112.377 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.11 149.59 40.97 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.835 0.35 . . . . 0.0 110.841 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.574 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.8 -18.8 65.55 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.422 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.331 1.1 t 54.59 13.26 0.65 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 117.721 2.489 . . . . 0.0 117.721 173.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -132.94 -3.71 3.18 Favored 'General case' 0 N--CA 1.461 0.114 0 O-C-N 121.716 -0.615 . . . . 0.0 111.553 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -66.57 -10.6 54.69 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 122.901 0.286 . . . . 0.0 112.495 -175.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.4 t -73.96 -35.58 64.52 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.709 0.754 . . . . 0.0 110.837 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 89.3 mt -77.57 -8.06 57.27 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.215 0.606 . . . . 0.0 111.269 -177.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 145' ' ' ARG . 98.4 t -72.49 138.06 80.81 Favored Pre-proline 0 N--CA 1.453 -0.317 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 176.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -64.45 -23.03 65.24 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.003 2.469 . . . . 0.0 112.511 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.413 ' H ' HG12 ' A' ' 143' ' ' VAL . 42.9 mtm180 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 117.001 -1.476 . . . . 0.0 112.512 176.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.555 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.453 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.7 tp10 -69.08 -20.89 64.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.601 0.361 . . . . 0.0 111.461 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.89 -0.99 83.68 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.616 -0.547 . . . . 0.0 112.79 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -69.94 151.76 45.24 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.233 1.016 . . . . 0.0 108.991 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -72.2 171.11 12.64 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 123.486 0.714 . . . . 0.0 110.994 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -64.95 140.64 58.89 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.974 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -57.24 130.93 48.37 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 77.92 14.35 82.43 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-O 119.868 -0.407 . . . . 0.0 113.004 -178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.17 129.87 41.91 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.405 1.103 . . . . 0.0 111.873 174.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.05 -7.9 81.08 Favored Glycine 0 CA--C 1.527 0.809 0 CA-C-O 119.428 -0.651 . . . . 0.0 112.108 179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -102.89 105.04 15.33 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 117.693 0.747 . . . . 0.0 109.615 175.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.87 163.15 33.68 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.097 0.475 . . . . 0.0 110.74 177.261 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.7 tt -148.12 145.1 28.24 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.883 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.461 HE22 HD23 ' A' ' 12' ' ' LEU . 22.6 mp0 -124.32 127.26 47.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.872 0.469 . . . . 0.0 109.77 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -152.49 158.23 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 122.764 0.426 . . . . 0.0 111.757 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -54.71 133.21 46.96 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.845 0.858 . . . . 0.0 109.82 174.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -77.0 -31.07 56.2 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.5 tp -154.17 127.48 8.49 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 122.981 0.513 . . . . 0.0 109.932 -178.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.484 HG21 HG22 ' A' ' 29' ' ' VAL . 43.5 t -114.96 122.75 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.0 p -108.05 127.31 53.67 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 106.18 -1.785 . . . . 0.0 106.18 174.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.9 p -134.0 144.61 35.03 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -71.19 156.7 39.25 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.93 0.395 . . . . 0.0 110.563 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -73.11 129.87 39.03 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.507 -0.746 . . . . 0.0 110.326 176.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.72 1.74 63.49 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 118.686 -1.063 . . . . 0.0 114.824 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.73 178.73 6.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.491 1.646 . . . . 0.0 111.518 176.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.8 p -102.86 168.58 9.13 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -154.87 154.81 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.121 0 C-N-CA 124.274 1.029 . . . . 0.0 110.602 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.447 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.7 t60 -108.97 142.65 39.32 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.722 0.809 . . . . 0.0 109.819 178.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG22 HG21 ' A' ' 19' ' ' VAL . 42.3 t -131.26 111.88 15.5 Favored Pre-proline 0 CA--C 1.524 -0.048 0 C-N-CA 123.22 0.608 . . . . 0.0 110.578 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.28 135.48 18.63 Favored 'Trans proline' 0 N--CA 1.449 -1.105 0 C-N-CA 122.895 2.397 . . . . 0.0 110.019 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.461 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 53.0 t -148.53 146.5 28.34 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 122.918 0.487 . . . . 0.0 109.815 178.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.3 t -147.17 155.85 42.48 Favored 'General case' 0 C--N 1.337 0.046 0 C-N-CA 123.278 0.631 . . . . 0.0 110.373 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -150.57 170.32 19.42 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.6 t -147.9 153.74 39.48 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.874 176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -154.35 159.39 31.99 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 124.062 0.945 . . . . 0.0 113.439 -175.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.19 153.07 48.41 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 123.559 2.839 . . . . 0.0 111.797 175.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -86.01 18.64 2.93 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -101.55 156.39 17.51 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.05 3.99 88.71 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 119.432 -0.649 . . . . 0.0 113.516 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.9 p-90 -152.26 174.86 13.27 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 118.427 1.114 . . . . 0.0 111.306 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 t -144.7 163.25 34.55 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -60.85 -20.93 62.66 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.218 0.607 . . . . 0.0 112.432 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.1 t -75.0 -22.59 58.43 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.676 0.391 . . . . 0.0 111.429 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -92.11 122.61 64.66 Favored Pre-proline 0 N--CA 1.455 -0.2 0 C-N-CA 123.01 0.524 . . . . 0.0 112.3 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.28 152.4 39.44 Favored 'Trans proline' 0 N--CA 1.449 -1.135 0 C-N-CA 123.091 2.527 . . . . 0.0 110.525 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -76.62 152.09 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 112.74 0.644 . . . . 0.0 112.74 176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.416 ' CD2' HD22 ' A' ' 67' ' ' ASN . 30.8 m80 -136.27 128.49 29.92 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.818 172.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.9 158.81 16.04 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -150.56 150.39 31.15 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -123.15 147.02 47.26 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.242 0.617 . . . . 0.0 112.089 174.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -146.82 156.1 42.86 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.494 0.718 . . . . 0.0 110.446 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 47.4 mtt180 -85.05 147.91 26.43 Favored 'General case' 0 CA--C 1.523 -0.092 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.42 141.04 57.92 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 122.043 -0.411 . . . . 0.0 111.077 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 86.78 -5.83 84.1 Favored Glycine 0 CA--C 1.531 1.075 0 CA-C-O 118.939 -0.923 . . . . 0.0 114.075 177.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 36.6 p30 -91.4 -175.8 4.34 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.37 1.585 . . . . 0.0 107.459 178.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.402 ' HD2' ' C ' ' A' ' 55' ' ' ASP . 3.1 mpt_? -127.02 117.51 22.04 Favored Pre-proline 0 CA--C 1.53 0.19 0 O-C-N 122.195 -0.315 . . . . 0.0 110.48 176.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -72.87 -11.09 25.48 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.257 2.638 . . . . 0.0 111.783 -178.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 7.4 m-85 -86.9 -6.22 58.85 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -130.32 -26.9 2.26 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 118.601 0.637 . . . . 0.0 111.885 -178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -108.29 157.86 17.99 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.05 148.37 78.38 Favored Pre-proline 0 N--CA 1.452 -0.352 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.55 156.7 63.18 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.187 2.592 . . . . 0.0 110.111 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.33 -20.73 14.2 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 173.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.03 146.64 12.65 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.828 0.451 . . . . 0.0 110.167 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.1 t -160.74 156.0 24.67 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 122.564 0.345 . . . . 0.0 111.157 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -87.29 -3.13 59.03 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 123.235 0.614 . . . . 0.0 111.872 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.416 HD22 ' CD2' ' A' ' 47' ' ' HIS . 1.7 m120 -64.72 137.71 97.23 Favored Pre-proline 0 CA--C 1.532 0.283 0 O-C-N 122.033 -0.417 . . . . 0.0 111.8 178.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -78.93 -22.33 8.84 Favored 'Trans proline' 0 N--CA 1.45 -1.043 0 C-N-CA 123.397 2.731 . . . . 0.0 111.754 173.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -106.02 -27.17 11.31 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -175.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -75.71 135.75 40.37 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -81.1 173.43 12.57 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.927 0.394 . . . . 0.0 110.012 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.47 163.6 37.17 Favored 'Isoleucine or valine' 0 C--O 1.233 0.19 0 C-N-CA 122.775 0.43 . . . . 0.0 111.553 176.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -56.26 139.54 47.72 Favored 'General case' 0 N--CA 1.457 -0.119 0 CA-C-O 120.688 0.28 . . . . 0.0 111.123 -178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.95 -19.78 63.36 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -175.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -92.68 -4.7 52.81 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 122.257 -0.277 . . . . 0.0 111.249 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.419 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.2 p -119.34 3.75 11.29 Favored 'General case' 0 CA--C 1.522 -0.114 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.72 119.64 9.1 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.4 -16.89 3.52 Favored Glycine 0 CA--C 1.533 1.184 0 C-N-CA 123.604 0.621 . . . . 0.0 113.114 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.9 mtm105 -86.41 -31.26 21.54 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 118.097 0.948 . . . . 0.0 111.242 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.419 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 8.1 m-85 -105.4 127.45 52.99 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.95 141.23 26.26 Favored 'General case' 0 CA--C 1.529 0.135 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.95 154.26 39.43 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 123.392 0.677 . . . . 0.0 109.307 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.0 171.97 12.94 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.811 0.845 . . . . 0.0 110.211 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.4 -178.05 52.09 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 122.791 0.234 . . . . 0.0 112.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -86.83 139.68 30.44 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -68.37 -37.38 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.355 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -86.07 15.26 5.23 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.283 0.633 . . . . 0.0 111.563 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 t -131.64 14.02 4.92 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.015 0.526 . . . . 0.0 110.885 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.4 34.8 24.85 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.967 0.907 . . . . 0.0 113.101 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -78.86 126.49 30.78 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 120.498 -0.481 . . . . 0.0 112.035 174.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.461 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.5 p -111.74 13.83 21.11 Favored 'General case' 0 C--O 1.231 0.082 0 C-N-CA 123.095 0.558 . . . . 0.0 110.998 175.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.7 m -53.54 150.0 7.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.382 0.673 . . . . 0.0 110.782 -176.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 30.4 tp -136.29 149.83 48.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.466 -173.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.494 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.0 t -125.89 135.64 52.15 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.064 0.546 . . . . 0.0 109.748 173.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.9 mp -107.74 137.05 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 N-CA-C 107.572 -1.27 . . . . 0.0 107.572 171.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -127.64 148.1 50.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.909 0.483 . . . . 0.0 109.725 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.7 t0 47.54 53.43 11.1 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.65 141.88 46.85 Favored 'General case' 0 C--N 1.338 0.107 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -138.51 163.34 32.23 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 124.362 1.065 . . . . 0.0 109.733 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -59.76 -16.03 24.66 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -172.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 ptp180 -81.71 -5.32 58.02 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.814 0.445 . . . . 0.0 111.485 177.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -94.22 -20.04 20.19 Favored 'General case' 0 C--O 1.231 0.102 0 C-N-CA 123.005 0.522 . . . . 0.0 109.973 -179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -68.33 134.28 50.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 122.785 0.434 . . . . 0.0 110.406 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.44 -149.39 20.9 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 110.458 -1.057 . . . . 0.0 110.458 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.6 t -124.04 152.94 42.05 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.784 0.433 . . . . 0.0 110.6 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 51.6 m-85 -137.69 155.86 48.65 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.594 1.158 . . . . 0.0 112.786 -175.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -142.81 155.01 44.74 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 174.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.252 22.6 t80 -103.78 157.94 16.73 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -175.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -137.16 150.61 48.05 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.666 0.386 . . . . 0.0 110.518 -178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 tp -127.76 132.52 49.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.411 1.084 . . . . 0.0 110.266 -174.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -139.47 131.96 28.63 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 169.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 67.8 ttt180 -153.78 112.37 3.65 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.485 0.714 . . . . 0.0 109.149 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.26 -125.26 38.53 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 108.955 -1.658 . . . . 0.0 108.955 -172.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -83.45 -8.57 59.35 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.077 0.551 . . . . 0.0 112.454 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.7 tpp -69.07 137.09 53.25 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 118.395 0.543 . . . . 0.0 110.851 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -146.02 128.77 16.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.131 1.372 . . . . 0.0 108.58 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.442 ' CH2' ' HA2' ' A' ' 8' ' ' GLY . 58.4 t-105 -159.55 145.21 15.86 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.181 0.446 . . . . 0.0 110.386 175.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 39.4 t -122.29 130.87 53.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.302 0.641 . . . . 0.0 109.655 177.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -86.53 78.71 9.15 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 56.5 pttt -146.12 145.36 30.48 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.586 0.355 . . . . 0.0 111.016 -176.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.3 t -67.16 142.01 57.18 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 123.612 0.765 . . . . 0.0 112.002 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -139.3 -163.69 1.53 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.429 1.091 . . . . 0.0 111.24 -176.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.45 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.1 OUTLIER -42.83 -48.65 5.77 Favored 'General case' 0 C--O 1.23 0.047 0 C-N-CA 125.37 1.468 . . . . 0.0 113.239 -175.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -134.94 -12.25 2.23 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 175.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -82.24 141.03 33.31 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -137.36 139.63 40.92 Favored 'General case' 0 C--N 1.338 0.107 0 C-N-CA 122.56 0.344 . . . . 0.0 110.755 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.14 163.73 39.26 Favored 'General case' 0 CA--C 1.528 0.123 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.561 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -73.72 154.71 39.52 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.129 0.972 . . . . 0.0 111.433 -174.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -136.65 167.46 21.36 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.379 1.072 . . . . 0.0 110.666 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.0 tp -113.37 122.85 48.62 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.586 0.754 . . . . 0.0 109.767 -176.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 68.2 m -99.21 130.42 45.51 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 171.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.5 t -108.91 148.0 13.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.123 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 172.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.85 154.95 46.41 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -133.24 142.91 40.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.806 0.442 . . . . 0.0 110.221 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.2 t -142.67 144.63 32.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.295 0.638 . . . . 0.0 112.324 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -72.67 151.45 42.24 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 122.11 -0.369 . . . . 0.0 110.771 -178.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.15 -25.53 68.13 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.1 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER 55.54 2.92 0.07 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 118.245 2.683 . . . . 0.0 118.245 175.051 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -156.86 166.07 34.4 Favored 'General case' 0 C--O 1.231 0.122 0 O-C-N 121.867 -0.521 . . . . 0.0 110.518 175.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 69.72 14.31 69.89 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 112.005 -0.438 . . . . 0.0 112.005 -178.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 97.0 p -150.62 177.7 9.8 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 123.59 0.756 . . . . 0.0 110.246 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 66.6 mt -73.62 0.83 11.56 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.203 0.601 . . . . 0.0 112.343 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 69.3 t -64.02 132.7 95.36 Favored Pre-proline 0 CA--C 1.533 0.325 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.3 164.33 34.49 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 123.635 2.89 . . . . 0.0 111.905 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.282 -1.342 . . . . 0.0 110.62 -179.434 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.534 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.418 ' H91' ' CD2' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.621 0.248 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -68.9 147.8 51.14 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.329 0.252 . . . . 0.0 110.469 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.14 171.56 48.38 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.2 p30 -69.39 154.6 41.77 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -74.12 168.86 18.72 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.235 0.614 . . . . 0.0 110.684 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.58 142.2 58.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.485 0.714 . . . . 0.0 109.81 178.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -57.36 133.75 55.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.52 9.38 86.09 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.722 -0.488 . . . . 0.0 113.041 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -57.83 132.31 52.98 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.334 1.067 . . . . 0.0 110.752 175.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.37 -8.94 78.75 Favored Glycine 0 CA--C 1.525 0.71 0 CA-C-O 119.367 -0.685 . . . . 0.0 111.97 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -101.63 102.72 13.47 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 117.993 0.896 . . . . 0.0 110.273 175.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.492 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -139.45 160.21 40.36 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.188 0.518 . . . . 0.0 110.625 177.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.21 146.8 30.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.926 -174.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.492 HE22 HD23 ' A' ' 12' ' ' LEU . 22.7 mp0 -127.22 124.52 39.11 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.501 0.72 . . . . 0.0 109.74 179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -152.42 158.39 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 C-N-CA 122.931 0.493 . . . . 0.0 111.393 -178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -55.97 129.29 39.15 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.581 0.753 . . . . 0.0 109.804 174.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -75.5 -27.31 58.72 Favored 'General case' 0 N--CA 1.461 0.1 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -174.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.05 124.66 7.1 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG21 HG22 ' A' ' 29' ' ' VAL . 38.3 t -114.61 126.79 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.288 1.2 p -112.22 127.07 55.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 170.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 p -131.86 147.19 32.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.223 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.6 156.25 39.61 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.026 0.441 . . . . 0.0 110.451 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -74.01 128.15 34.76 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.732 -0.605 . . . . 0.0 109.941 177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.83 3.43 59.31 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 118.672 -1.071 . . . . 0.0 114.911 175.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.09 -178.58 5.03 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 119.346 1.573 . . . . 0.0 111.673 175.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.6 p -104.53 167.61 9.63 Favored 'General case' 0 C--O 1.23 0.077 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 -175.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -154.75 150.22 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.524 1.13 . . . . 0.0 110.642 178.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.448 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.7 t60 -102.88 142.79 33.39 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.025 0.93 . . . . 0.0 109.882 178.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG22 HG21 ' A' ' 19' ' ' VAL . 51.6 t -131.59 112.96 15.29 Favored Pre-proline 0 N--CA 1.458 -0.069 0 C-N-CA 122.903 0.481 . . . . 0.0 110.522 176.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -76.02 136.46 18.41 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.892 2.395 . . . . 0.0 110.07 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.459 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.0 t -149.84 142.44 24.49 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 122.973 0.509 . . . . 0.0 110.221 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.4 m -144.48 155.6 43.79 Favored 'General case' 0 C--N 1.337 0.06 0 C-N-CA 123.704 0.802 . . . . 0.0 109.978 179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -150.73 173.23 14.42 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-O 121.025 0.441 . . . . 0.0 111.944 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.4 t -148.99 154.53 39.49 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 122.989 0.516 . . . . 0.0 111.046 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -153.72 160.63 30.71 Favored Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 124.227 1.011 . . . . 0.0 113.635 -174.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.72 153.4 56.3 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 123.293 2.662 . . . . 0.0 111.613 175.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.1 pt20 -82.51 13.07 3.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -178.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -92.09 151.25 20.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.78 4.61 88.72 Favored Glycine 0 CA--C 1.526 0.775 0 CA-C-O 119.532 -0.593 . . . . 0.0 113.646 176.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.53 175.11 11.43 Favored 'General case' 0 C--O 1.23 0.063 0 CA-C-N 118.463 1.131 . . . . 0.0 111.191 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 t -144.91 163.2 34.87 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -60.8 -22.6 64.29 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t -75.03 -20.23 59.69 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 122.665 0.386 . . . . 0.0 111.539 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -92.63 121.69 65.66 Favored Pre-proline 0 N--CA 1.455 -0.22 0 C-N-CA 122.786 0.434 . . . . 0.0 112.03 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.43 153.15 39.59 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 122.83 2.353 . . . . 0.0 110.267 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.5 t -76.92 152.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 176.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -136.36 131.62 34.5 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.053 0.454 . . . . 0.0 110.615 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.34 157.66 15.79 Favored Glycine 0 CA--C 1.524 0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.477 179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -150.53 152.24 33.86 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.721 0.809 . . . . 0.0 109.994 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 70.9 m95 -131.86 146.49 52.15 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 122.974 0.51 . . . . 0.0 112.269 175.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -149.41 157.42 43.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 107.219 -1.401 . . . . 0.0 107.219 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 54.0 mtt85 -80.53 154.06 27.75 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.04 142.85 56.32 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.26 -5.79 81.93 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 119.582 -0.566 . . . . 0.0 112.616 -177.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -78.0 168.66 19.54 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.264 1.032 . . . . 0.0 112.792 176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -125.6 107.97 26.25 Favored Pre-proline 0 N--CA 1.453 -0.278 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 173.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.83 -11.4 29.38 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.223 2.615 . . . . 0.0 111.3 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 3.4 m-85 -86.82 -6.69 58.73 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 -179.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -137.03 0.91 2.42 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.136 0.88 . . . . 0.0 113.294 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -152.31 165.29 35.39 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 -174.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.23 151.27 69.38 Favored Pre-proline 0 N--CA 1.451 -0.395 0 C-N-CA 123.241 0.616 . . . . 0.0 111.492 -177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -72.01 159.76 49.36 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.732 2.955 . . . . 0.0 110.334 173.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 m -77.98 -21.61 13.66 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.078 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.82 147.95 13.69 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.769 0.428 . . . . 0.0 110.432 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -161.25 157.89 26.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.385 0.274 . . . . 0.0 111.221 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -88.08 -6.28 58.01 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.311 0.644 . . . . 0.0 111.689 174.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -71.12 135.25 84.95 Favored Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 118.037 0.38 . . . . 0.0 110.607 -177.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -77.13 -23.26 10.59 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.187 2.591 . . . . 0.0 111.338 175.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -96.97 -28.51 14.15 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 115.658 1.725 . . . . 0.0 115.658 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -80.1 134.89 36.22 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -82.26 176.24 9.63 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.38 162.64 39.42 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 122.933 0.493 . . . . 0.0 111.782 176.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -55.96 141.24 40.32 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 121.074 0.464 . . . . 0.0 111.082 -178.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.38 -20.59 62.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 122.597 0.359 . . . . 0.0 111.716 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -90.3 -5.26 56.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.708 0.403 . . . . 0.0 111.221 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.9 p -122.73 5.57 9.45 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 113.758 1.022 . . . . 0.0 113.758 176.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.16 119.17 8.45 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.1 -15.77 3.92 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 123.791 0.71 . . . . 0.0 112.862 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.3 mtm105 -87.02 -28.47 22.6 Favored 'General case' 0 C--N 1.339 0.113 0 CA-C-N 118.393 1.096 . . . . 0.0 111.171 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.9 m-85 -110.92 127.49 55.49 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 176.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -146.81 142.6 27.88 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.2 mp -73.96 154.19 39.45 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.553 0.741 . . . . 0.0 109.525 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.54 174.5 10.2 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.966 0.906 . . . . 0.0 110.042 -179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.45 -176.83 54.56 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 122.9 0.286 . . . . 0.0 112.871 175.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.22 132.57 36.56 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -177.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.86 -37.37 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.662 0.785 . . . . 0.0 111.022 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -85.95 10.96 12.51 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.05 0.54 . . . . 0.0 111.494 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.8 t -125.79 15.82 8.06 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.35 0.66 . . . . 0.0 110.824 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 56.01 34.23 23.33 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.663 0.785 . . . . 0.0 113.107 -178.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -78.68 128.84 34.01 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.817 -0.552 . . . . 0.0 112.487 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.459 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.6 p -114.79 13.7 17.28 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.101 0.56 . . . . 0.0 111.27 175.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.3 m -52.49 149.9 5.39 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.401 0.68 . . . . 0.0 111.276 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 36.3 tp -135.33 149.72 49.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.221 -173.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.479 ' HB2' HD11 ' A' ' 83' ' ' LEU . 16.5 t -124.19 135.4 53.44 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 123.177 0.591 . . . . 0.0 109.423 173.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.6 mp -109.37 135.79 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 171.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -128.87 152.96 47.94 Favored 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 123.748 0.819 . . . . 0.0 109.074 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.3 41.32 30.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.81 144.56 27.22 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.134 0.574 . . . . 0.0 112.372 -171.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -140.41 161.25 38.16 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 124.908 1.283 . . . . 0.0 109.38 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -59.86 -14.68 16.33 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -173.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.8 ptm85 -83.76 -3.59 57.94 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.901 0.48 . . . . 0.0 111.766 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -95.16 -19.52 20.01 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -66.5 134.23 52.0 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 155.06 -147.79 17.29 Favored Glycine 0 CA--C 1.527 0.844 0 N-CA-C 110.519 -1.033 . . . . 0.0 110.519 -177.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 t -124.68 154.21 41.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.111 0.564 . . . . 0.0 111.046 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.552 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 39.7 m-85 -138.81 155.59 48.03 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.76 1.224 . . . . 0.0 112.831 -175.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -141.14 152.87 45.05 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 173.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -100.92 160.99 13.91 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -139.1 145.89 40.03 Favored 'General case' 0 CA--C 1.522 -0.099 0 CA-C-O 121.067 0.46 . . . . 0.0 111.34 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.6 tp -118.15 134.18 55.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 124.971 1.308 . . . . 0.0 109.879 -178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -140.11 131.12 26.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 169.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -153.96 110.76 3.37 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.23 -123.24 32.47 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.09 -1.604 . . . . 0.0 109.09 -173.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.0 t -83.3 -8.94 59.36 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.011 0.524 . . . . 0.0 111.792 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.7 tpp -68.74 136.59 53.07 Favored 'General case' 0 C--N 1.339 0.109 0 O-C-N 121.682 -0.636 . . . . 0.0 111.198 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -147.91 127.27 13.09 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 124.966 1.306 . . . . 0.0 109.357 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.463 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.1 t-105 -161.81 133.78 5.63 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 118.499 0.591 . . . . 0.0 111.26 175.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.439 ' HB2' ' HE2' ' A' ' 120' ' ' LYS . 28.9 m -101.34 131.6 47.32 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 123.306 0.642 . . . . 0.0 109.533 170.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -83.09 78.14 9.64 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 178.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' A' ' 118' ' ' SER . 58.6 pttt -145.95 146.18 30.94 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.73 0.812 . . . . 0.0 110.113 -176.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -70.24 152.73 43.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.994 0.518 . . . . 0.0 111.365 -176.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -142.4 -156.37 0.68 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.006 0.922 . . . . 0.0 110.568 -178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -45.61 -47.48 14.7 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 125.614 1.566 . . . . 0.0 112.519 -176.326 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.17 -14.67 1.76 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -77.73 143.3 38.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -138.92 140.99 38.49 Favored 'General case' 0 CA--C 1.527 0.066 0 C-N-CA 123.258 0.623 . . . . 0.0 110.666 -176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.7 t -156.89 165.03 37.36 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.498 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.5 tpmt? -72.73 154.93 40.45 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.405 1.082 . . . . 0.0 111.458 -175.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -138.27 168.33 19.96 Favored 'General case' 0 C--O 1.231 0.109 0 C-N-CA 124.259 1.024 . . . . 0.0 110.401 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.7 tp -115.87 122.35 45.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.347 0.659 . . . . 0.0 110.038 -177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.3 m -97.59 130.39 44.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.4 t -107.0 148.44 11.34 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.067 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 172.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.44 155.22 45.07 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 -175.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 55.9 t -135.66 142.95 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.896 0.478 . . . . 0.0 109.743 -176.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.93 145.89 35.05 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.038 0.535 . . . . 0.0 112.319 178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.07 150.85 38.74 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.097 0.475 . . . . 0.0 110.732 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.2 -24.31 67.63 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.074 174.078 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 0.9 OUTLIER 55.08 11.54 0.53 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 172.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.16 175.48 12.11 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 121.598 -0.689 . . . . 0.0 111.401 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -176.52 176.05 47.73 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 70.3 m -67.0 157.06 34.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.827 0.451 . . . . 0.0 111.069 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 79.4 mt -76.37 -3.01 34.64 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.941 0.496 . . . . 0.0 111.331 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 38.7 t -144.93 137.33 13.37 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.32 149.25 85.13 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.263 2.642 . . . . 0.0 111.375 -178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.6 mtm105 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 117.632 -1.175 . . . . 0.0 110.378 -178.205 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.534 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.463 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.632 -0.136 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -144.55 162.86 35.54 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.836 0.854 . . . . 0.0 110.535 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.94 -177.62 47.65 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.432 -0.667 . . . . 0.0 111.432 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -67.18 158.73 30.56 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -154.07 170.26 21.57 Favored 'General case' 0 C--N 1.338 0.074 0 C-N-CA 123.037 0.535 . . . . 0.0 110.479 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -65.49 140.25 58.57 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.387 0.675 . . . . 0.0 109.97 178.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -57.13 134.0 55.5 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 172.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.7 11.64 85.16 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 119.657 -0.524 . . . . 0.0 112.902 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -55.35 131.15 45.02 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 118.674 1.237 . . . . 0.0 112.904 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.92 -9.31 77.13 Favored Glycine 0 C--N 1.338 0.669 0 CA-C-O 119.407 -0.663 . . . . 0.0 111.799 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -100.44 105.1 16.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.943 0.871 . . . . 0.0 110.208 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.426 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.7 162.13 36.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.225 0.536 . . . . 0.0 110.868 176.499 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 tt -147.81 147.15 29.51 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.058 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.426 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.92 129.89 42.79 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.46 0.704 . . . . 0.0 109.625 178.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 p -152.79 160.23 3.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.124 0.57 . . . . 0.0 110.66 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -54.55 127.73 29.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 173.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -74.86 -27.25 60.18 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -173.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -154.94 123.82 6.19 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.497 HG21 HG22 ' A' ' 29' ' ' VAL . 40.5 t -112.56 129.27 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.283 1.3 p -115.13 128.57 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 169.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.47 146.89 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.027 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.301 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.86 155.81 39.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.953 -0.467 . . . . 0.0 110.708 176.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -74.05 127.44 32.9 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.681 -0.637 . . . . 0.0 109.693 176.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.3 1.62 55.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-O 119.025 -0.875 . . . . 0.0 114.71 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.04 179.37 6.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 119.193 1.496 . . . . 0.0 111.514 177.246 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.9 p -102.87 169.61 8.49 Favored 'General case' 0 C--O 1.231 0.115 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -175.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.3 p -155.32 153.27 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 124.373 1.069 . . . . 0.0 110.78 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.438 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -106.15 143.4 34.33 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 123.85 0.86 . . . . 0.0 109.693 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG22 HG21 ' A' ' 19' ' ' VAL . 40.0 t -132.21 112.33 14.38 Favored Pre-proline 0 CA--C 1.529 0.159 0 C-N-CA 123.102 0.561 . . . . 0.0 110.926 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -75.16 136.26 19.85 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.834 2.356 . . . . 0.0 110.189 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 51.5 t -149.18 145.26 27.07 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.691 0.396 . . . . 0.0 110.236 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.2 m -145.54 152.98 40.59 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 123.87 0.868 . . . . 0.0 110.326 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -150.13 171.77 16.36 Favored 'General case' 0 C--O 1.231 0.119 0 O-C-N 121.82 -0.55 . . . . 0.0 112.055 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.26 153.98 39.44 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.074 176.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -153.75 159.64 31.84 Favored Pre-proline 0 N--CA 1.454 -0.253 0 C-N-CA 123.886 0.874 . . . . 0.0 113.238 -174.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -58.57 151.48 62.13 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.14 2.56 . . . . 0.0 111.286 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -81.64 13.77 2.95 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -92.52 149.86 21.11 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.28 5.15 87.53 Favored Glycine 0 CA--C 1.528 0.868 0 CA-C-O 119.666 -0.519 . . . . 0.0 113.364 176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.484 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -148.56 173.55 13.04 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 118.468 1.134 . . . . 0.0 111.423 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.9 163.01 34.65 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -60.26 -21.41 61.84 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.2 t -76.19 -17.91 59.31 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 121.888 -0.507 . . . . 0.0 111.561 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -96.49 119.14 64.6 Favored Pre-proline 0 C--O 1.233 0.205 0 C-N-CA 122.892 0.477 . . . . 0.0 111.938 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -74.4 154.08 45.37 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.756 2.304 . . . . 0.0 110.485 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -74.57 152.96 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.086 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 176.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.432 ' CD2' HD22 ' A' ' 67' ' ' ASN . 22.0 m80 -136.26 127.15 27.56 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-O 120.721 0.296 . . . . 0.0 110.449 171.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.72 158.9 15.56 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -151.67 147.85 27.23 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -118.02 148.05 42.62 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 122.906 0.482 . . . . 0.0 112.174 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -143.05 151.82 41.21 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -177.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -79.51 141.5 36.64 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.35 137.86 57.84 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.991 -0.443 . . . . 0.0 110.829 -178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 85.75 -3.07 87.62 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 118.946 -0.919 . . . . 0.0 114.11 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' C ' ' HD2' ' A' ' 56' ' ' ARG . 24.4 p30 -89.43 -174.92 4.55 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' HD2' ' C ' ' A' ' 55' ' ' ASP . 3.2 mpt_? -126.93 111.33 22.02 Favored Pre-proline 0 CA--C 1.532 0.259 0 O-C-N 122.234 -0.291 . . . . 0.0 110.431 177.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -71.81 -9.25 24.53 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.523 2.815 . . . . 0.0 112.746 -174.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.542 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 17.3 m-85 -85.25 -3.03 58.68 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -175.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -151.8 -21.79 0.19 Allowed 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -92.29 154.03 18.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 175.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.26 149.19 78.89 Favored Pre-proline 0 N--CA 1.455 -0.216 0 O-C-N 122.134 -0.354 . . . . 0.0 110.202 177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.62 155.87 58.44 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.448 2.765 . . . . 0.0 109.816 175.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.9 m -79.15 -20.62 12.66 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.124 0 O-C-N 121.949 -0.47 . . . . 0.0 110.14 172.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.11 146.57 14.2 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 122.741 0.416 . . . . 0.0 109.992 179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -158.31 156.53 30.77 Favored 'General case' 0 N--CA 1.46 0.047 0 CA-C-O 120.764 0.316 . . . . 0.0 111.74 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -87.3 -3.53 59.04 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.034 0.533 . . . . 0.0 111.618 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.432 HD22 ' CD2' ' A' ' 47' ' ' HIS . 2.4 m120 -64.51 135.97 96.57 Favored Pre-proline 0 N--CA 1.456 -0.165 0 O-C-N 122.028 -0.42 . . . . 0.0 111.315 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.67 -19.5 12.76 Favored 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.117 2.544 . . . . 0.0 111.74 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -113.54 -26.34 8.34 Favored 'General case' 0 C--N 1.34 0.177 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -174.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -72.97 139.69 46.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -79.6 173.14 12.88 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.078 0.551 . . . . 0.0 110.63 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -136.94 162.75 33.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 123.487 0.715 . . . . 0.0 111.135 177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -53.88 141.79 26.33 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-O 120.838 0.351 . . . . 0.0 111.596 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.07 -25.42 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -81.75 -10.33 59.39 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 118.022 0.374 . . . . 0.0 110.66 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.427 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.3 p -119.39 4.98 11.17 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.34 119.99 9.56 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -13.15 5.43 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.75 0.691 . . . . 0.0 113.368 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.1 mtm105 -91.97 -28.31 17.31 Favored 'General case' 0 C--O 1.226 -0.148 0 CA-C-N 118.488 1.144 . . . . 0.0 111.46 179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.427 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -107.3 127.58 53.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 176.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.67 141.61 27.02 Favored 'General case' 0 CA--C 1.527 0.091 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.8 154.57 39.47 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.351 0.66 . . . . 0.0 109.434 175.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.3 mt -132.79 173.16 11.66 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.156 0.983 . . . . 0.0 110.361 -178.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.34 -178.32 52.91 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 121.413 0.452 . . . . 0.0 113.206 175.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.27 131.85 34.1 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -177.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 65.2 mt -62.59 -38.61 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.607 0.763 . . . . 0.0 110.951 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -83.04 -7.4 59.66 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.252 0.221 . . . . 0.0 111.008 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.5 t -98.15 10.4 40.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.297 0.639 . . . . 0.0 111.354 -179.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 56.51 34.72 24.82 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.345 0.658 . . . . 0.0 112.248 -176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -79.23 126.8 31.24 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.157 -0.339 . . . . 0.0 111.484 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.465 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.8 p -112.26 14.45 20.51 Favored 'General case' 0 N--CA 1.46 0.053 0 C-N-CA 123.313 0.645 . . . . 0.0 110.578 175.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.0 m -53.41 150.37 6.61 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.377 0.671 . . . . 0.0 110.822 -175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 40.6 tp -135.57 150.91 49.84 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.225 0.61 . . . . 0.0 110.544 -173.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.478 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.2 t -126.49 134.84 50.82 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.296 0.638 . . . . 0.0 109.594 172.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -106.83 136.9 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 171.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -126.34 148.17 49.61 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.9 t0 48.43 49.76 17.67 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.93 140.0 44.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 122.459 0.304 . . . . 0.0 111.784 -173.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -137.5 166.26 24.3 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 123.465 0.706 . . . . 0.0 110.252 177.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.58 -16.47 25.57 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -171.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -82.09 -6.31 59.07 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.3 0.5 . . . . 0.0 111.531 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -92.88 -17.05 24.52 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 118.336 0.516 . . . . 0.0 110.282 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -69.11 137.14 53.2 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 150.63 -149.72 21.62 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.8 t -124.93 152.45 44.09 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 122.654 0.382 . . . . 0.0 110.433 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -140.08 160.92 38.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.313 1.045 . . . . 0.0 111.642 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -143.64 156.86 44.69 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 174.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -101.65 158.52 16.04 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -141.04 152.08 44.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.819 -0.551 . . . . 0.0 110.615 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 tp -130.07 135.36 48.15 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.849 0.859 . . . . 0.0 111.658 -171.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -140.41 133.9 30.03 Favored 'General case' 0 C--O 1.231 0.09 0 C-N-CA 123.543 0.737 . . . . 0.0 109.274 168.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.69 111.26 3.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.48 -126.15 41.29 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -172.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.6 m -82.55 -6.98 59.65 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.159 0.584 . . . . 0.0 112.493 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 40.0 tpp -68.28 135.9 52.64 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.5 0.591 . . . . 0.0 111.48 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -145.81 123.22 11.66 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.454 1.102 . . . . 0.0 109.606 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.433 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 62.4 t-105 -159.86 142.32 13.49 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 117.997 0.362 . . . . 0.0 110.416 173.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 26.3 t -119.62 130.31 55.03 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.778 0.831 . . . . 0.0 109.765 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -83.85 78.41 9.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -173.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -148.22 157.69 43.64 Favored 'General case' 0 N--CA 1.457 -0.088 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.9 p -74.75 160.79 30.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 -174.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.435 ' HB3' ' H ' ' A' ' 123' ' ' LEU . 15.3 mp0 -146.07 -161.99 1.43 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.931 1.293 . . . . 0.0 110.201 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.435 ' H ' ' HB3' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -43.66 -49.97 7.6 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 125.515 1.526 . . . . 0.0 112.843 -176.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.76 -14.61 3.16 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 178.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -79.89 139.23 37.21 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -137.4 141.25 41.69 Favored 'General case' 0 N--CA 1.461 0.101 0 C-N-CA 122.626 0.371 . . . . 0.0 110.398 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -154.54 161.35 41.68 Favored 'General case' 0 CA--C 1.528 0.13 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -77.2 156.58 31.43 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.502 0.721 . . . . 0.0 111.844 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -136.9 172.02 13.64 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 124.536 1.135 . . . . 0.0 111.162 -179.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.0 tp -114.84 122.57 46.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.853 0.861 . . . . 0.0 110.073 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.0 m -98.57 131.39 44.82 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 170.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.4 147.95 13.5 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 C-N-CA 122.651 0.38 . . . . 0.0 109.994 172.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.22 155.11 46.08 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 -176.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 54.2 t -134.28 143.23 38.7 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.11 0 C-N-CA 123.006 0.522 . . . . 0.0 110.047 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.55 145.81 35.56 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.058 0.543 . . . . 0.0 112.426 177.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.72 149.89 39.66 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.016 -0.427 . . . . 0.0 111.045 -178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -66.31 -20.44 66.09 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 173.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 1.0 OUTLIER 53.69 12.24 0.38 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 173.245 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -148.02 22.02 1.1 Allowed 'General case' 0 N--CA 1.462 0.175 0 O-C-N 121.768 -0.582 . . . . 0.0 111.996 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -63.14 -9.97 31.7 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-O 120.07 -0.294 . . . . 0.0 112.966 -177.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 52.1 m -77.77 -30.21 51.33 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 117.56 0.68 . . . . 0.0 111.0 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.3 mt -91.47 -6.63 52.35 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.235 0.614 . . . . 0.0 111.023 -178.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.38 134.6 76.47 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.35 153.4 74.28 Favored 'Trans proline' 0 N--CA 1.455 -0.769 0 C-N-CA 123.45 2.767 . . . . 0.0 111.015 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 . . . . . 0 C--O 1.253 1.261 0 CA-C-O 117.678 -1.153 . . . . 0.0 110.204 -177.211 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.542 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.433 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.3 mtp . . . . . 0 N--CA 1.476 0.839 0 CA-C-O 120.573 0.225 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -154.67 167.51 29.91 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.36 0.664 . . . . 0.0 110.249 179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.28 163.97 52.52 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.729 -0.549 . . . . 0.0 111.729 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -66.73 142.55 57.36 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 -161.94 170.89 18.58 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 123.709 0.804 . . . . 0.0 110.05 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.76 141.4 58.79 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.305 0.642 . . . . 0.0 109.933 178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -58.37 133.38 55.67 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.406 ' HA2' ' CH2' ' A' ' 117' ' ' TRP . . . 76.89 12.03 84.96 Favored Glycine 0 CA--C 1.526 0.768 0 CA-C-O 119.836 -0.424 . . . . 0.0 113.008 -177.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.8 129.2 38.47 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.288 1.044 . . . . 0.0 112.457 175.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.7 80.53 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.132 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -101.63 104.13 14.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 117.776 0.788 . . . . 0.0 110.188 175.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.25 162.08 36.34 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.062 0.458 . . . . 0.0 110.515 177.095 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -147.27 146.76 29.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.386 0.675 . . . . 0.0 109.954 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.455 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -130.15 131.7 45.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.94 0.496 . . . . 0.0 109.734 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.7 p -152.77 160.2 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 122.936 0.494 . . . . 0.0 110.572 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -54.87 127.56 29.16 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.65 -28.0 60.67 Favored 'General case' 0 C--O 1.231 0.107 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -173.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 20.6 tp -153.4 123.69 7.06 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.496 HG21 HG22 ' A' ' 29' ' ' VAL . 45.0 t -111.89 128.99 68.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.298 1.1 p -115.35 129.27 56.55 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 169.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.83 147.6 30.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.507 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.29 154.91 40.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.002 0.43 . . . . 0.0 110.549 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -72.03 127.41 32.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 O-C-N 121.707 -0.621 . . . . 0.0 110.196 176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.81 1.71 58.61 Favored Glycine 0 CA--C 1.531 1.068 0 CA-C-O 118.799 -1.0 . . . . 0.0 115.082 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.69 179.09 6.37 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 119.424 1.612 . . . . 0.0 111.777 176.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.1 p -101.22 168.64 9.43 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.1 p -154.93 155.34 5.98 Favored 'Isoleucine or valine' 0 C--O 1.232 0.145 0 C-N-CA 124.56 1.144 . . . . 0.0 110.565 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.452 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.8 t60 -108.59 142.89 38.38 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.994 0.918 . . . . 0.0 109.703 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.496 HG22 HG21 ' A' ' 19' ' ' VAL . 40.3 t -131.7 112.17 14.99 Favored Pre-proline 0 C--O 1.231 0.124 0 C-N-CA 122.994 0.518 . . . . 0.0 111.04 177.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.37 136.42 19.65 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.59 2.193 . . . . 0.0 110.256 177.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.463 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 54.1 t -149.05 148.03 29.23 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.158 0.583 . . . . 0.0 110.184 178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.0 t -148.11 155.53 41.55 Favored 'General case' 0 C--N 1.335 -0.058 0 C-N-CA 123.595 0.758 . . . . 0.0 110.415 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -151.81 169.14 22.97 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.0 t -146.64 153.06 39.87 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.973 176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -153.86 160.11 31.3 Favored Pre-proline 0 C--O 1.233 0.214 0 C-N-CA 124.078 0.951 . . . . 0.0 113.477 -175.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -58.72 152.43 56.6 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.294 2.663 . . . . 0.0 111.486 175.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.17 13.68 3.32 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -177.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -92.81 149.87 21.0 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.88 5.3 88.03 Favored Glycine 0 CA--C 1.528 0.896 0 CA-C-O 119.399 -0.667 . . . . 0.0 113.284 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.493 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.4 p-90 -148.94 174.33 12.37 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-N 118.313 1.056 . . . . 0.0 110.651 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 t -146.03 164.48 31.98 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.4 -23.42 62.59 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -76.21 -14.93 60.13 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -98.13 119.23 62.44 Favored Pre-proline 0 CA--C 1.529 0.155 0 C-N-CA 122.985 0.514 . . . . 0.0 111.653 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -75.63 152.03 37.46 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 122.963 2.442 . . . . 0.0 110.476 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -75.11 152.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 177.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.433 ' CD2' HD22 ' A' ' 67' ' ' ASN . 28.0 m80 -136.27 128.22 29.43 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.053 -0.404 . . . . 0.0 110.578 172.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.3 158.34 16.01 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -150.72 147.64 27.58 Favored 'General case' 0 C--N 1.334 -0.095 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -118.51 148.38 42.68 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 174.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -143.57 152.91 42.0 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 75.5 mtt-85 -79.35 141.56 36.83 Favored 'General case' 0 C--O 1.231 0.114 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.8 138.86 58.08 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.81 -5.61 81.56 Favored Glycine 0 CA--C 1.53 1.014 0 CA-C-O 118.976 -0.902 . . . . 0.0 113.9 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 34.4 p30 -85.6 179.17 7.16 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 119.396 1.598 . . . . 0.0 107.815 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -111.05 109.15 57.27 Favored Pre-proline 0 C--O 1.232 0.145 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.72 -10.12 26.0 Favored 'Trans proline' 0 N--CA 1.455 -0.794 0 C-N-CA 122.94 2.427 . . . . 0.0 111.339 -177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.5 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 21.8 m-85 -89.84 -4.74 57.43 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -129.99 -32.24 1.86 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.853 0.751 . . . . 0.0 111.473 -177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -96.2 156.67 16.24 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.05 150.98 83.78 Favored Pre-proline 0 N--CA 1.453 -0.3 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 175.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -71.73 154.71 59.13 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 123.314 2.676 . . . . 0.0 110.003 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.3 m -77.64 -20.87 13.93 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.067 0 O-C-N 122.14 -0.35 . . . . 0.0 110.132 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.34 147.22 14.17 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -158.96 157.0 30.49 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-O 120.784 0.326 . . . . 0.0 111.835 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -86.47 -3.66 59.04 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.119 0.567 . . . . 0.0 112.089 174.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.433 HD22 ' CD2' ' A' ' 47' ' ' HIS . 2.5 m120 -64.4 136.18 96.65 Favored Pre-proline 0 CA--C 1.531 0.224 0 O-C-N 122.03 -0.419 . . . . 0.0 110.841 178.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -78.48 -20.52 10.84 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.197 2.598 . . . . 0.0 111.378 176.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -113.51 -24.81 9.07 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 -174.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -74.62 141.61 44.65 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 122.321 -0.237 . . . . 0.0 110.409 -179.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -80.89 173.29 12.75 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.959 0.409 . . . . 0.0 110.812 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.26 163.84 32.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 C-N-CA 123.391 0.676 . . . . 0.0 110.771 176.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.1 mm-40 -54.34 138.62 38.98 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-O 120.727 0.299 . . . . 0.0 111.296 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.83 -23.75 63.35 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.663 -0.244 . . . . 0.0 111.557 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -82.41 -7.31 59.64 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-O 119.507 -0.282 . . . . 0.0 111.095 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.5 p -124.32 5.98 8.41 Favored 'General case' 0 C--N 1.339 0.135 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -61.73 122.25 14.88 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.2 -14.31 4.03 Favored Glycine 0 CA--C 1.528 0.878 0 CA-C-O 119.595 -0.559 . . . . 0.0 112.929 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.2 mtm105 -90.46 -31.48 16.78 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.445 1.122 . . . . 0.0 111.429 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.6 m-85 -104.67 126.62 51.93 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 176.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -146.59 141.35 26.85 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -73.67 154.2 39.79 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.492 0.717 . . . . 0.0 109.584 174.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 94' ' ' SER . 13.9 mt -131.35 174.18 10.32 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.177 0.991 . . . . 0.0 110.131 -178.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 76.33 -177.72 50.54 Favored Glycine 0 CA--C 1.527 0.798 0 CA-C-O 121.073 0.263 . . . . 0.0 112.8 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -87.19 141.1 28.9 Favored 'General case' 0 C--O 1.233 0.237 0 N-CA-C 114.746 1.388 . . . . 0.0 114.746 -177.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.7 mt -69.26 -41.02 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 122.693 0.397 . . . . 0.0 110.83 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.6 m95 -81.2 -8.66 59.8 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.737 0.415 . . . . 0.0 110.843 -176.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.5 t -94.72 7.3 46.27 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.308 0.643 . . . . 0.0 111.638 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 57.21 33.97 24.11 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.312 0.645 . . . . 0.0 112.452 -176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -79.35 126.64 31.07 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.182 -0.324 . . . . 0.0 111.097 174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.463 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.6 p -110.32 14.33 22.71 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.834 0.454 . . . . 0.0 110.916 174.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.4 m -52.71 150.52 5.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.425 0.69 . . . . 0.0 111.295 -175.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 29.6 tp -136.14 151.3 49.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.532 -173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 83' ' ' LEU . 24.0 t -127.33 135.0 49.93 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 123.165 0.586 . . . . 0.0 109.733 172.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.1 mp -105.4 138.3 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 171.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -128.96 150.03 50.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.1 t0 47.59 53.21 11.47 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.14 143.77 37.51 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -173.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 -138.26 161.47 36.8 Favored 'General case' 0 C--N 1.338 0.101 0 C-N-CA 124.202 1.001 . . . . 0.0 109.337 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -60.41 -14.34 18.46 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 -174.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -85.42 -3.3 58.8 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 118.079 0.4 . . . . 0.0 111.542 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -93.85 -17.58 22.91 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -69.57 136.03 50.78 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.19 -146.99 16.43 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.427 -1.069 . . . . 0.0 110.427 -177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.5 t -129.56 153.02 48.45 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 122.546 0.338 . . . . 0.0 110.574 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 76.2 m-85 -139.99 161.32 37.89 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.382 1.073 . . . . 0.0 111.287 -177.128 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -144.17 158.52 43.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 175.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . 0.253 25.4 t80 -105.42 158.94 16.3 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -138.42 151.1 47.15 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.032 0.533 . . . . 0.0 110.756 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -128.36 132.84 48.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.48 1.112 . . . . 0.0 110.526 -173.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -139.69 132.39 28.98 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 169.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -153.87 112.6 3.66 Favored 'General case' 0 CA--C 1.522 -0.109 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.18 -124.79 37.01 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 109.106 -1.598 . . . . 0.0 109.106 -173.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.2 t -82.63 -12.84 57.37 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 122.905 0.482 . . . . 0.0 111.929 177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 41.5 tpp -65.38 136.23 56.26 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 121.648 -0.657 . . . . 0.0 110.987 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -145.53 127.25 15.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.008 1.323 . . . . 0.0 108.888 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.474 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 65.5 t-105 -159.41 150.16 19.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 117.84 0.291 . . . . 0.0 110.343 174.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.6 t -128.62 128.96 45.21 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.139 0.576 . . . . 0.0 109.615 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -84.94 78.53 9.89 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -173.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.22 149.24 33.55 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.799 0.44 . . . . 0.0 110.489 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.0 t -64.06 149.81 46.74 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 122.817 0.447 . . . . 0.0 111.412 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -144.55 -160.49 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.415 0.686 . . . . 0.0 109.694 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.439 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -48.05 -49.46 31.34 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 123.826 0.85 . . . . 0.0 112.593 -174.109 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.72 -18.18 2.78 Favored 'General case' 0 C--N 1.335 -0.054 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -75.25 143.16 43.19 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -138.83 140.98 38.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.412 -176.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.6 t -155.75 161.99 40.6 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 175.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -77.44 156.6 31.0 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.756 0.822 . . . . 0.0 112.118 -174.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -136.32 171.54 14.33 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 124.453 1.101 . . . . 0.0 111.065 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 22.2 tp -113.39 122.2 46.64 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.691 0.797 . . . . 0.0 110.006 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -99.04 130.73 45.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 170.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.45 148.38 13.23 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.529 0.331 . . . . 0.0 110.2 173.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.06 155.36 46.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.66 143.0 38.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 C-N-CA 123.276 0.63 . . . . 0.0 110.091 -176.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -141.52 146.88 36.92 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.048 0.539 . . . . 0.0 112.452 177.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.76 150.87 37.69 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.95 0.405 . . . . 0.0 110.621 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.583 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.25 -23.4 67.29 Favored 'General case' 0 CA--C 1.53 0.191 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 174.102 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.322 1.0 OUTLIER 54.35 12.41 0.51 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 172.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.53 174.9 12.42 Favored 'General case' 0 CA--C 1.529 0.138 0 O-C-N 121.813 -0.555 . . . . 0.0 111.245 -179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -177.92 -175.05 44.78 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.6 p -68.79 162.74 25.66 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-O 120.949 0.404 . . . . 0.0 111.047 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 79.3 mt -75.47 1.17 14.79 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.269 0.627 . . . . 0.0 112.455 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 46.6 t -63.33 136.85 96.89 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 123.265 0.626 . . . . 0.0 109.863 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -71.3 8.05 1.26 Allowed 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 124.19 3.26 . . . . 0.0 112.963 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 . . . . . 0 C--O 1.253 1.28 0 CA-C-O 118.057 -0.973 . . . . 0.0 111.445 179.673 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.5 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.474 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -76.35 -7.08 54.22 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.44 -168.75 53.74 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.8 p30 -148.47 163.68 36.44 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -156.19 170.9 21.16 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.179 0.592 . . . . 0.0 110.366 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.15 140.19 58.76 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.024 0.529 . . . . 0.0 109.9 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -57.93 133.65 55.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 172.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.42 11.67 85.28 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-O 119.642 -0.532 . . . . 0.0 113.074 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -56.15 131.06 46.7 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.546 1.173 . . . . 0.0 112.29 175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.66 -7.8 79.78 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-O 119.658 -0.523 . . . . 0.0 112.03 178.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -101.54 103.54 14.4 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 117.856 0.828 . . . . 0.0 110.156 174.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -140.0 160.08 40.72 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 121.082 0.468 . . . . 0.0 110.474 177.058 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.9 147.23 30.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 123.556 0.742 . . . . 0.0 109.948 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.455 HE22 HD23 ' A' ' 12' ' ' LEU . 22.3 mp0 -127.84 125.72 40.28 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.329 0.652 . . . . 0.0 109.713 179.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -151.97 158.77 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 122.409 0.284 . . . . 0.0 111.519 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -53.72 132.26 40.75 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.191 0.996 . . . . 0.0 110.266 176.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -75.65 -29.95 59.28 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 tp -155.98 121.38 4.85 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.06 0.391 . . . . 0.0 110.271 -178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.475 HG21 HG22 ' A' ' 29' ' ' VAL . 43.1 t -108.57 123.44 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.5 p -107.48 127.78 53.91 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 173.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.5 p -135.1 144.95 32.99 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.44 156.25 39.68 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.151 0.5 . . . . 0.0 110.373 177.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -72.83 130.55 40.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 O-C-N 121.684 -0.635 . . . . 0.0 110.002 177.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.98 1.75 65.03 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.586 -1.119 . . . . 0.0 114.694 175.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.75 178.82 6.36 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.369 1.584 . . . . 0.0 111.306 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -103.14 168.34 9.24 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -175.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.0 p -155.01 149.37 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.339 1.056 . . . . 0.0 110.796 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.2 t60 -104.4 141.64 35.99 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.848 0.859 . . . . 0.0 109.753 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.475 HG22 HG21 ' A' ' 19' ' ' VAL . 41.2 t -130.35 111.89 16.69 Favored Pre-proline 0 N--CA 1.456 -0.162 0 C-N-CA 123.125 0.57 . . . . 0.0 110.711 177.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -74.86 136.3 20.54 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.942 2.428 . . . . 0.0 110.082 177.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.4 t -149.47 143.49 25.7 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 122.727 0.411 . . . . 0.0 110.444 178.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.1 m -143.65 154.17 43.25 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.811 0.844 . . . . 0.0 110.404 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -151.24 171.45 17.4 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 121.978 -0.451 . . . . 0.0 112.164 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.5 t -148.0 154.53 40.42 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.539 0.336 . . . . 0.0 111.247 176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -152.64 160.48 31.1 Favored Pre-proline 0 CA--C 1.532 0.256 0 C-N-CA 124.14 0.976 . . . . 0.0 113.37 -175.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.25 151.1 62.16 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 123.517 2.811 . . . . 0.0 111.892 176.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.438 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -88.45 35.81 0.77 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.196 0.598 . . . . 0.0 112.562 -176.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.82 157.16 42.98 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.17 3.44 84.94 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 112.133 -0.387 . . . . 0.0 112.133 -177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.438 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.8 p-90 -151.64 175.29 12.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.65 0.725 . . . . 0.0 110.989 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 t -145.12 164.07 32.38 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -61.41 -21.81 64.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.8 m -76.28 -16.06 59.87 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.689 0.396 . . . . 0.0 111.817 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -98.8 121.87 54.74 Favored Pre-proline 0 CA--C 1.528 0.099 0 C-N-CA 122.882 0.473 . . . . 0.0 111.645 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.95 152.19 40.73 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.05 2.5 . . . . 0.0 110.332 177.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.86 152.31 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 176.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -136.07 127.88 29.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 122.264 -0.272 . . . . 0.0 110.364 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.26 157.14 15.66 Favored Glycine 0 C--N 1.335 0.479 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -150.5 147.15 27.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -117.07 146.97 42.77 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -144.59 154.7 43.12 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.397 0.679 . . . . 0.0 112.097 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.546 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 22.6 mtm180 -87.13 144.93 26.64 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 177.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.03 138.44 57.86 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 122.162 -0.336 . . . . 0.0 111.034 -177.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 88.41 -4.19 85.27 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 118.847 -0.974 . . . . 0.0 114.015 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.7 p30 -89.2 -171.12 3.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.268 1.534 . . . . 0.0 107.792 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -125.74 105.49 26.65 Favored Pre-proline 0 CA--C 1.528 0.133 0 C-N-CA 123.076 0.551 . . . . 0.0 110.165 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -73.06 -8.23 21.84 Favored 'Trans proline' 0 N--CA 1.454 -0.828 0 C-N-CA 123.705 2.937 . . . . 0.0 112.16 -174.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.539 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 26.1 m-85 -87.44 -3.56 59.01 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -176.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -151.48 -22.66 0.2 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -87.26 155.98 19.84 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.536 0.607 . . . . 0.0 109.38 175.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.03 146.87 76.07 Favored Pre-proline 0 N--CA 1.453 -0.306 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -71.4 155.45 60.0 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.392 2.728 . . . . 0.0 109.786 176.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 20.1 m -78.08 -20.0 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.012 173.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -162.7 149.11 12.72 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.788 0.435 . . . . 0.0 110.092 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -158.52 158.32 33.78 Favored 'General case' 0 CA--C 1.526 0.057 0 C-N-CA 122.761 0.424 . . . . 0.0 111.629 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -84.41 -8.44 58.97 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.183 0.593 . . . . 0.0 111.816 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -69.5 134.1 88.79 Favored Pre-proline 0 N--CA 1.452 -0.356 0 O-C-N 122.0 -0.438 . . . . 0.0 111.768 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.05 -21.51 12.12 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.315 2.677 . . . . 0.0 111.496 174.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -103.67 -25.44 13.15 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 -176.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -77.18 138.36 39.41 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 122.429 0.291 . . . . 0.0 110.393 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -80.24 172.67 13.46 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 121.104 0.478 . . . . 0.0 110.403 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.13 163.81 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.839 0.855 . . . . 0.0 110.986 177.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -54.02 139.21 35.27 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.619 0.247 . . . . 0.0 111.034 -179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.65 -21.08 63.57 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -90.27 -1.0 57.88 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 122.147 -0.346 . . . . 0.0 111.507 178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.1 p -125.39 3.7 7.72 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 175.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.86 121.77 13.75 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -176.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.53 -11.47 9.63 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.408 -0.662 . . . . 0.0 113.147 179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.5 mtm105 -94.54 -33.44 13.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.487 1.144 . . . . 0.0 111.197 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -103.95 125.27 50.21 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -146.22 142.78 28.73 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 178.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.88 154.45 39.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.238 0.615 . . . . 0.0 109.483 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.9 mt -131.84 173.14 11.48 Favored 'General case' 0 CA--C 1.527 0.067 0 C-N-CA 123.876 0.87 . . . . 0.0 110.161 -178.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.64 -177.85 53.59 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-O 121.329 0.405 . . . . 0.0 112.968 176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.43 132.14 34.09 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -62.54 -38.8 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.419 0.688 . . . . 0.0 111.31 -178.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -83.48 -5.7 59.24 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.604 0.361 . . . . 0.0 111.078 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.5 t -98.33 9.48 42.96 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.54 0.736 . . . . 0.0 111.167 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.49 34.68 24.73 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.278 0.631 . . . . 0.0 112.319 -175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -79.0 127.65 32.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 O-C-N 122.041 -0.412 . . . . 0.0 111.922 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.471 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.8 p -114.08 14.73 18.36 Favored 'General case' 0 C--O 1.23 0.068 0 C-N-CA 122.958 0.503 . . . . 0.0 110.975 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.2 m -52.98 150.66 5.32 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.25 0.62 . . . . 0.0 111.028 -176.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.19 149.5 48.61 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.042 0.537 . . . . 0.0 110.741 -174.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.482 ' HB2' HD11 ' A' ' 83' ' ' LEU . 13.5 t -123.93 138.81 54.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.586 0.754 . . . . 0.0 109.578 174.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.2 mp -115.5 136.61 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 173.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -129.69 148.93 51.63 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 122.749 0.42 . . . . 0.0 111.062 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 46.5 t0 46.89 55.53 7.78 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.57 143.87 28.33 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -172.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -129.09 157.49 41.61 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 125.14 1.376 . . . . 0.0 108.933 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -62.89 -13.5 34.96 Favored 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -86.17 -4.19 59.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.921 0.488 . . . . 0.0 111.594 176.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -89.48 -19.48 25.03 Favored 'General case' 0 C--N 1.337 0.064 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -69.2 135.61 50.84 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.96 0.504 . . . . 0.0 109.761 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.93 -151.08 23.04 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.273 -1.131 . . . . 0.0 110.273 -177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 24.8 t -122.01 153.29 38.76 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 122.809 0.444 . . . . 0.0 111.017 178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.546 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.0 m-85 -137.63 156.32 48.18 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.565 1.146 . . . . 0.0 112.89 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -143.44 155.84 44.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 174.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -104.25 157.09 17.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -176.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.0 ttt85 -135.84 149.09 48.93 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 122.841 0.457 . . . . 0.0 111.027 -178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 6.5 tp -126.29 132.7 51.6 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.603 1.161 . . . . 0.0 110.477 -174.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -139.35 133.36 31.02 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 169.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -154.66 110.63 3.19 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 179.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 58.46 -122.65 30.62 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 109.152 -1.579 . . . . 0.0 109.152 -172.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.9 t -85.88 -7.79 58.47 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 122.914 0.486 . . . . 0.0 111.595 178.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 46.2 tpp -67.38 135.75 53.69 Favored 'General case' 0 C--N 1.34 0.18 0 O-C-N 121.841 -0.537 . . . . 0.0 110.981 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -146.59 123.98 11.65 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.39 1.076 . . . . 0.0 109.144 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.443 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 65.3 t-105 -159.18 149.01 18.91 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 117.725 0.238 . . . . 0.0 110.556 174.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.6 t -126.13 128.52 47.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.617 0.767 . . . . 0.0 109.418 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -84.68 78.37 9.87 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -146.48 152.64 39.34 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 122.984 0.514 . . . . 0.0 110.121 -179.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 13.2 t -66.9 146.52 54.31 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 122.993 0.517 . . . . 0.0 111.099 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -141.71 -159.75 1.0 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.405 0.682 . . . . 0.0 109.976 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.42 -49.94 23.92 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.925 0.89 . . . . 0.0 112.881 -174.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.99 -19.91 2.53 Favored 'General case' 0 CA--C 1.527 0.082 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 176.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -74.63 141.67 44.63 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -137.76 141.23 40.94 Favored 'General case' 0 N--CA 1.462 0.133 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 -176.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.1 t -155.92 165.72 35.64 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 177.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -70.16 154.32 42.06 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.58 1.152 . . . . 0.0 111.871 -175.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -138.52 168.25 20.18 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.516 1.127 . . . . 0.0 110.54 177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 20.4 tp -115.11 124.18 50.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.535 0.734 . . . . 0.0 109.72 -178.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 74.2 m -100.03 132.33 45.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 170.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.5 t -110.63 148.3 14.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 172.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -140.46 154.24 46.55 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -177.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 44.5 t -133.62 142.24 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.258 -178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.0 t -141.68 145.24 34.67 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.056 0.543 . . . . 0.0 112.45 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.59 149.96 41.74 Favored 'General case' 0 N--CA 1.451 -0.392 0 O-C-N 122.163 -0.335 . . . . 0.0 111.118 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.593 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -65.39 -22.22 66.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 173.708 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.329 1.0 OUTLIER 54.71 12.64 0.59 Allowed 'General case' 0 C--O 1.233 0.215 0 N-CA-C 117.833 2.531 . . . . 0.0 117.833 172.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.47 174.76 12.55 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.344 -0.847 . . . . 0.0 111.317 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -178.29 173.1 45.59 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 95.8 p -73.07 165.87 24.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.969 0.414 . . . . 0.0 110.871 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 69.9 mt -76.98 0.27 21.78 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 122.642 0.377 . . . . 0.0 111.855 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.56 136.55 96.13 Favored Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 122.95 0.5 . . . . 0.0 109.988 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.08 168.19 18.04 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 123.6 2.867 . . . . 0.0 111.703 -179.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 117.396 -1.288 . . . . 0.0 110.097 -177.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.539 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.443 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -154.05 164.66 38.11 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.129 0.572 . . . . 0.0 110.179 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 73.87 -175.68 47.2 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 60.56 166.66 0.08 Allowed 'General case' 0 C--O 1.234 0.274 0 N-CA-C 116.377 1.992 . . . . 0.0 116.377 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -153.61 171.2 19.15 Favored 'General case' 0 C--O 1.23 0.075 0 C-N-CA 123.236 0.614 . . . . 0.0 110.182 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -65.45 142.66 58.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.124 0.57 . . . . 0.0 109.684 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -58.61 133.03 55.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 173.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.32 8.68 87.04 Favored Glycine 0 CA--C 1.529 0.92 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.768 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -57.89 131.73 51.26 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.712 1.256 . . . . 0.0 111.283 175.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.25 -8.04 80.73 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.41 -0.661 . . . . 0.0 112.024 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -101.65 105.01 15.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 117.886 0.843 . . . . 0.0 110.53 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.452 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.23 160.34 40.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.218 0.532 . . . . 0.0 110.697 176.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -147.69 144.63 28.47 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.532 -174.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.452 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -123.59 125.8 45.5 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.058 0.543 . . . . 0.0 109.602 178.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -152.68 158.77 3.99 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 C-N-CA 122.915 0.486 . . . . 0.0 111.727 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -56.87 130.23 44.88 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.768 0.827 . . . . 0.0 109.613 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.65 -26.51 54.94 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -174.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -154.54 126.02 7.45 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.456 HG21 HG22 ' A' ' 29' ' ' VAL . 34.5 t -117.08 127.19 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -112.23 129.11 56.38 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 170.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.9 p -132.92 147.21 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.483 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -73.0 155.81 39.46 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.085 0.469 . . . . 0.0 110.152 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -72.59 127.07 31.45 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.912 -0.492 . . . . 0.0 109.964 177.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.82 3.12 59.43 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-O 118.6 -1.111 . . . . 0.0 115.128 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.59 -177.69 4.59 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.573 1.686 . . . . 0.0 111.525 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.3 p -105.89 167.96 9.44 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -175.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.1 p -153.9 156.38 5.34 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 124.76 1.224 . . . . 0.0 110.711 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.449 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.6 t60 -110.55 142.58 42.16 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.815 0.846 . . . . 0.0 109.644 179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HG21 ' A' ' 19' ' ' VAL . 40.2 t -132.24 113.17 14.52 Favored Pre-proline 0 CA--C 1.527 0.066 0 C-N-CA 123.104 0.562 . . . . 0.0 110.848 177.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.73 136.43 18.95 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.663 2.242 . . . . 0.0 110.22 177.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.1 t -149.18 146.91 27.88 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.596 0.358 . . . . 0.0 110.154 178.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.8 t -146.96 155.94 42.67 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 123.442 0.697 . . . . 0.0 110.317 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -151.63 170.39 19.8 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.6 t -148.34 154.74 40.38 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.877 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -151.83 161.47 29.43 Favored Pre-proline 0 N--CA 1.454 -0.24 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -59.23 151.81 64.65 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 123.38 2.72 . . . . 0.0 111.781 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.435 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.21 35.9 0.87 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.189 0.596 . . . . 0.0 112.276 -176.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -129.79 155.79 45.39 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 87.86 3.93 79.53 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.942 -0.365 . . . . 0.0 112.244 -177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.435 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 68.7 p-90 -152.06 175.52 12.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 117.626 0.713 . . . . 0.0 111.221 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -143.63 161.74 37.73 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 107.275 -1.379 . . . . 0.0 107.275 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.12 -21.89 64.15 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.3 t -75.18 -23.16 57.68 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 121.978 -0.451 . . . . 0.0 111.669 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.07 120.39 69.89 Favored Pre-proline 0 C--N 1.339 0.129 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.625 178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -74.44 153.9 45.06 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.371 2.047 . . . . 0.0 110.285 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.6 t -73.94 153.1 7.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -136.09 132.91 36.75 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.161 -0.337 . . . . 0.0 110.402 171.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.92 156.46 15.58 Favored Glycine 0 CA--C 1.521 0.423 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -151.39 149.21 29.04 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -118.74 148.12 43.12 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.007 0.523 . . . . 0.0 112.374 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -146.48 154.67 41.84 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.723 0.809 . . . . 0.0 112.153 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.555 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 46.6 mtt180 -85.39 146.09 27.16 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.92 137.89 57.96 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 122.053 -0.404 . . . . 0.0 111.081 -177.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.43 -2.62 86.5 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-O 118.966 -0.908 . . . . 0.0 114.45 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.2 p30 -87.12 -169.55 2.67 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.25 1.525 . . . . 0.0 108.632 178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 88.2 mmt-85 -125.98 101.45 29.15 Favored Pre-proline 0 CA--C 1.529 0.171 0 C-N-CA 122.961 0.504 . . . . 0.0 110.359 178.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.39 -8.07 22.01 Favored 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.691 2.927 . . . . 0.0 112.357 -174.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.573 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 10.7 m-85 -85.26 -3.39 58.81 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -176.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -152.59 -23.74 0.17 Allowed 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 118.682 0.674 . . . . 0.0 112.811 -178.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -82.44 156.37 24.15 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 118.49 0.586 . . . . 0.0 109.966 174.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.88 144.88 69.14 Favored Pre-proline 0 N--CA 1.452 -0.339 0 O-C-N 122.091 -0.381 . . . . 0.0 109.985 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.28 154.33 65.78 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 123.185 2.59 . . . . 0.0 109.603 176.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 29.5 m -76.69 -20.41 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.065 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 173.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.73 147.48 13.61 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.009 0.524 . . . . 0.0 110.166 178.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.7 t -159.42 157.08 29.54 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -88.44 -1.12 57.87 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 123.164 0.586 . . . . 0.0 111.643 174.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -64.37 137.52 97.15 Favored Pre-proline 0 CA--C 1.531 0.243 0 O-C-N 122.064 -0.398 . . . . 0.0 111.389 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -78.4 -20.75 10.81 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.019 2.479 . . . . 0.0 111.504 174.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -113.74 -26.06 8.39 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 116.882 2.179 . . . . 0.0 116.882 -174.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -74.8 138.82 42.86 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 117.959 0.345 . . . . 0.0 110.126 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -79.91 174.56 11.46 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.946 0.403 . . . . 0.0 110.222 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -135.2 164.3 33.78 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 123.468 0.707 . . . . 0.0 111.043 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.5 mm-40 -54.33 138.57 39.03 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 120.569 0.224 . . . . 0.0 110.715 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.4 -20.56 63.81 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -174.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -91.98 -5.79 52.4 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 122.038 -0.414 . . . . 0.0 111.402 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.406 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 4.2 p -117.43 3.52 12.5 Favored 'General case' 0 C--N 1.339 0.12 0 C-N-CA 124.037 0.935 . . . . 0.0 113.521 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.44 120.73 11.05 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.73 -15.21 3.91 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.724 0.678 . . . . 0.0 112.993 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.4 mtm105 -88.48 -31.12 18.9 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.352 1.076 . . . . 0.0 111.214 177.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 8.4 m-85 -107.25 126.86 52.96 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -146.66 140.7 26.19 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.78 154.59 39.49 Favored 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 175.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.6 mt -131.36 170.9 14.01 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.017 0.927 . . . . 0.0 110.041 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.65 -177.66 53.72 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 123.018 0.342 . . . . 0.0 112.935 175.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -88.71 133.14 34.31 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -176.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.68 -40.85 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.631 0.772 . . . . 0.0 111.033 -178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -82.07 -5.99 58.81 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 122.556 0.342 . . . . 0.0 111.248 -175.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.1 t -99.59 9.66 42.77 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.34 0.656 . . . . 0.0 111.154 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 56.64 34.77 25.07 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.52 0.728 . . . . 0.0 112.445 -175.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -77.96 127.1 31.83 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 174.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.46 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 5.3 p -112.39 13.64 20.28 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.925 0.49 . . . . 0.0 111.093 175.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.8 m -52.88 150.0 5.84 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.001 0.521 . . . . 0.0 110.89 -176.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 35.4 tp -135.71 149.38 49.21 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.435 -173.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.474 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.8 t -124.84 133.08 53.23 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 123.105 0.562 . . . . 0.0 109.845 172.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.09 137.47 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 170.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -130.29 153.34 48.74 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 52.25 41.69 30.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.54 143.3 30.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 112.875 0.695 . . . . 0.0 112.875 -171.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -139.41 162.83 34.08 Favored 'General case' 0 CA--C 1.521 -0.147 0 C-N-CA 124.447 1.099 . . . . 0.0 109.397 177.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -59.69 -16.3 25.81 Favored 'General case' 0 C--N 1.341 0.217 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -82.51 -4.1 56.98 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.093 0.406 . . . . 0.0 111.887 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -92.21 -20.35 21.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -67.07 134.08 51.15 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.701 0.4 . . . . 0.0 110.119 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.69 -150.75 22.38 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -178.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 t -122.0 151.67 40.55 Favored 'General case' 0 C--O 1.232 0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 110.809 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.555 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 60.2 m-85 -138.39 157.43 46.24 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.514 1.126 . . . . 0.0 112.634 -175.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -143.58 154.55 43.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 174.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -100.51 158.1 16.17 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 50.9 ttt85 -137.24 150.27 47.73 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 120.921 0.391 . . . . 0.0 110.821 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -125.94 132.93 51.99 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.277 1.031 . . . . 0.0 110.08 -175.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -138.81 131.98 29.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 169.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -154.45 110.96 3.28 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.96 -124.83 37.48 Favored Glycine 0 CA--C 1.528 0.865 0 N-CA-C 108.976 -1.649 . . . . 0.0 108.976 -172.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -83.3 -8.76 59.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.819 0.448 . . . . 0.0 112.113 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.8 tpp -66.43 136.86 56.33 Favored 'General case' 0 C--O 1.231 0.112 0 CA-C-N 118.304 0.502 . . . . 0.0 111.357 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.0 mtmt -148.26 123.98 10.51 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 124.873 1.269 . . . . 0.0 109.364 178.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.445 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 61.8 t-105 -161.45 131.73 4.99 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 118.393 0.542 . . . . 0.0 111.445 175.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.4 m -101.55 129.82 47.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 172.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -80.99 78.21 7.83 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -146.96 148.06 31.35 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.342 0.657 . . . . 0.0 110.333 -177.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.3 p -69.49 152.98 44.2 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.273 0.629 . . . . 0.0 111.908 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -142.79 -154.7 0.54 Allowed 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 124.306 1.042 . . . . 0.0 110.195 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.448 ' H ' ' HG ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.18 -51.65 17.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.723 1.609 . . . . 0.0 112.587 -176.159 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.94 -16.72 2.86 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.845 0.458 . . . . 0.0 112.155 177.081 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -77.11 141.03 40.39 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.322 1.231 . . . . 0.0 114.322 177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.88 140.99 38.58 Favored 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 122.92 0.488 . . . . 0.0 110.118 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 t -156.51 165.16 37.1 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.469 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.6 tpmt? -72.11 154.32 41.16 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.262 1.025 . . . . 0.0 111.377 -175.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -138.62 169.42 17.82 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.39 1.076 . . . . 0.0 110.572 177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.3 tp -117.08 121.79 42.31 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.528 0.731 . . . . 0.0 109.922 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.7 m -97.35 129.94 44.56 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 171.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.9 t -106.93 148.13 11.57 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 173.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.49 155.21 45.84 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 -176.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.0 t -133.7 143.16 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.113 0 C-N-CA 123.166 0.587 . . . . 0.0 110.041 -176.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.1 t -142.2 146.32 35.11 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.57 150.43 38.08 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 122.016 -0.427 . . . . 0.0 110.749 -178.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.594 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -63.83 -29.35 70.55 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.638 0.375 . . . . 0.0 110.206 175.666 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.321 0.8 OUTLIER 53.97 9.59 0.22 Allowed 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 117.985 2.587 . . . . 0.0 117.985 174.144 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -148.76 19.49 1.02 Allowed 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.758 -0.588 . . . . 0.0 112.405 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 74.2 -165.94 54.76 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 112.285 -0.326 . . . . 0.0 112.285 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 68.1 m -65.23 158.27 26.65 Favored 'General case' 0 C--O 1.231 0.081 0 CA-C-O 120.813 0.34 . . . . 0.0 111.3 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 76.4 mt -76.54 0.92 18.22 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.259 0.624 . . . . 0.0 112.253 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 145' ' ' ARG . 23.7 t -65.35 134.43 95.69 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 122.889 0.476 . . . . 0.0 110.645 179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.49 1.58 6.06 Favored 'Trans proline' 0 N--CA 1.456 -0.72 0 C-N-CA 123.814 3.01 . . . . 0.0 113.256 -177.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.417 ' H ' HG12 ' A' ' 143' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.191 0 CA-C-O 117.77 -1.11 . . . . 0.0 111.163 -178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.573 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.445 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.487 ' HG2' ' H ' ' A' ' 3' ' ' GLY . 57.6 ttm . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 59.2 mp0 -71.68 -4.01 24.98 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.475 0.71 . . . . 0.0 112.818 -177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.487 ' H ' ' HG2' ' A' ' 1' ' ' MET . . . 75.41 -174.32 52.33 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.736 -0.546 . . . . 0.0 111.736 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.98 156.25 38.93 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -155.36 169.02 25.19 Favored 'General case' 0 CA--C 1.524 -0.05 0 C-N-CA 123.118 0.567 . . . . 0.0 110.463 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -65.93 139.82 58.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.004 0.522 . . . . 0.0 109.845 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -57.89 133.92 55.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 172.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 78.44 11.02 85.73 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 119.898 -0.39 . . . . 0.0 113.059 -177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.1 130.51 42.21 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.491 1.145 . . . . 0.0 112.575 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.31 -8.69 79.29 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-O 119.548 -0.585 . . . . 0.0 111.859 178.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -101.32 105.29 16.34 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.794 0.797 . . . . 0.0 110.074 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.44 160.99 38.99 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 110.545 176.657 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tt -146.28 147.19 31.13 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.519 0.728 . . . . 0.0 109.898 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.479 HE22 HD23 ' A' ' 12' ' ' LEU . 22.8 mp0 -127.35 125.11 40.16 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.367 0.667 . . . . 0.0 109.563 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.1 p -152.34 158.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.356 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -55.2 129.17 37.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.519 0.727 . . . . 0.0 109.94 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -74.89 -28.38 60.62 Favored 'General case' 0 C--N 1.338 0.106 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -174.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.6 tp -154.22 124.37 6.86 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.981 0.419 . . . . 0.0 110.142 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG21 HG22 ' A' ' 29' ' ' VAL . 37.3 t -114.02 126.66 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.3 p -112.04 127.67 55.96 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 169.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.0 p -131.74 145.94 34.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.112 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -71.03 157.46 38.17 Favored 'General case' 0 N--CA 1.456 -0.175 0 O-C-N 122.08 -0.388 . . . . 0.0 110.384 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -72.91 128.88 36.81 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.719 -0.613 . . . . 0.0 110.272 178.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 2.41 65.98 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-O 118.888 -0.951 . . . . 0.0 115.206 174.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.23 178.91 6.08 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.329 1.565 . . . . 0.0 111.049 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.4 p -101.79 168.72 9.26 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -175.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 p -154.85 154.59 6.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 124.503 1.121 . . . . 0.0 110.44 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.446 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.7 t60 -108.68 142.99 38.36 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.334 1.053 . . . . 0.0 109.952 179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.455 HG22 HG21 ' A' ' 19' ' ' VAL . 41.4 t -133.19 112.55 13.23 Favored Pre-proline 0 N--CA 1.456 -0.138 0 C-N-CA 123.004 0.522 . . . . 0.0 110.687 177.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -75.4 137.71 21.19 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.706 2.27 . . . . 0.0 110.115 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -150.27 143.64 25.06 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.784 0.434 . . . . 0.0 110.265 179.059 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -146.62 156.44 43.21 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 123.859 0.863 . . . . 0.0 110.338 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -152.03 173.01 15.41 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.5 t -149.1 155.35 40.58 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.779 0.323 . . . . 0.0 111.182 176.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -152.03 160.73 31.06 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.85 151.87 61.61 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.549 2.833 . . . . 0.0 111.929 176.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.5 pt20 -88.6 36.0 0.79 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -128.63 157.19 41.98 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.89 2.6 86.25 Favored Glycine 0 CA--C 1.528 0.897 0 CA-C-O 119.852 -0.416 . . . . 0.0 112.317 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.454 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.6 p-90 -151.91 175.97 11.94 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 117.891 0.846 . . . . 0.0 111.144 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.8 t -145.72 164.33 32.16 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -62.2 -22.39 65.89 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 122.916 0.486 . . . . 0.0 111.067 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -76.46 -15.49 59.89 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.863 -0.523 . . . . 0.0 111.948 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -98.49 122.27 54.06 Favored Pre-proline 0 N--CA 1.455 -0.19 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -74.96 151.72 40.05 Favored 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 123.08 2.52 . . . . 0.0 110.771 178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 t -78.15 152.72 5.19 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 176.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -135.98 128.16 29.92 Favored 'General case' 0 CA--C 1.521 -0.157 0 O-C-N 122.056 -0.402 . . . . 0.0 110.994 174.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.36 154.64 17.56 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.83 148.38 29.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.654 0.782 . . . . 0.0 110.527 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 67.3 m95 -124.19 144.37 49.97 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.331 0.653 . . . . 0.0 112.734 174.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -146.19 161.58 39.91 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 37.6 mtm180 -88.63 152.36 21.88 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.46 105.79 2.32 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.44 -0.79 5.6 Favored Glycine 0 CA--C 1.531 1.094 0 CA-C-O 118.909 -0.94 . . . . 0.0 113.804 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . 0.326 6.0 p30 -126.13 149.22 49.11 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 119.474 1.637 . . . . 0.0 115.02 173.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.2 mmm180 -84.84 118.1 70.22 Favored Pre-proline 0 C--N 1.34 0.179 0 C-N-CA 122.715 0.406 . . . . 0.0 110.964 -172.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.64 -12.87 22.36 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.37 2.713 . . . . 0.0 112.55 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.543 ' CZ ' ' H5 ' ' A' ' 204' ' ' G6S . 13.3 m-85 -85.81 -5.76 59.2 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -174.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -151.32 -20.53 0.2 Allowed 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 -94.58 157.65 15.89 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 118.81 0.732 . . . . 0.0 109.763 174.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -75.78 144.68 76.97 Favored Pre-proline 0 N--CA 1.45 -0.438 0 O-C-N 121.96 -0.462 . . . . 0.0 110.525 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.86 159.19 54.24 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.685 2.923 . . . . 0.0 109.973 174.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.2 m -79.39 -21.44 12.4 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.146 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 172.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -161.1 146.92 14.42 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 122.79 0.436 . . . . 0.0 110.579 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.8 t -162.04 156.76 22.57 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.31 177.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -87.8 -3.91 58.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.322 0.649 . . . . 0.0 111.752 174.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -70.07 137.14 87.08 Favored Pre-proline 0 N--CA 1.451 -0.405 0 O-C-N 122.172 -0.33 . . . . 0.0 111.011 -176.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.68 -11.68 13.99 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 123.774 2.982 . . . . 0.0 111.94 176.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -113.9 -36.53 4.77 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -70.36 133.72 47.2 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -82.19 177.81 8.6 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.24 161.32 41.64 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 122.978 0.511 . . . . 0.0 112.04 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -55.21 140.18 39.7 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 122.758 0.423 . . . . 0.0 110.92 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.33 -20.61 63.87 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.407 0.283 . . . . 0.0 111.698 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -90.71 -1.29 57.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.816 0.446 . . . . 0.0 111.4 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.3 p -127.57 5.61 6.2 Favored 'General case' 0 CA--C 1.522 -0.107 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -62.17 119.66 9.41 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 -176.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.68 -17.1 2.82 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 123.648 0.642 . . . . 0.0 113.238 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 29.2 mtm105 -85.7 -30.47 23.12 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 118.377 1.089 . . . . 0.0 111.109 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -107.18 128.11 54.12 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -148.09 142.4 26.24 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -73.73 153.86 39.86 Favored 'General case' 0 CA--C 1.528 0.111 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 174.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 94' ' ' SER . 19.1 mt -129.49 -16.69 3.84 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.041 0.536 . . . . 0.0 111.839 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.52 151.79 38.5 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 -173.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -74.78 138.19 42.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 174.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.94 -39.84 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.082 -176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 54.2 m95 -90.36 16.83 8.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.618 0.367 . . . . 0.0 111.447 -175.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 t -131.02 12.7 5.19 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 122.858 0.463 . . . . 0.0 111.437 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 55.02 31.3 15.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -91.25 133.39 35.44 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.464 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 3.6 p -113.44 16.14 18.94 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.907 0.883 . . . . 0.0 111.989 -178.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 61.7 m -52.3 147.09 8.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.092 0.557 . . . . 0.0 111.685 -175.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.8 tp -134.21 152.42 51.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.856 0.863 . . . . 0.0 110.474 -173.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.526 ' HB2' HD11 ' A' ' 83' ' ' LEU . 20.6 t -127.43 138.92 53.1 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.587 0.755 . . . . 0.0 109.788 172.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.2 137.37 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.386 -1.338 . . . . 0.0 107.386 171.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -128.78 148.64 50.88 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.3 t0 48.15 53.5 11.62 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.42 142.71 42.96 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -174.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -137.44 162.33 33.96 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 123.945 0.898 . . . . 0.0 109.264 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.78 -15.95 35.21 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -174.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -84.45 -2.87 57.9 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.218 0.463 . . . . 0.0 111.407 178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -96.09 -18.92 19.8 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -67.49 134.87 52.13 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.743 0.417 . . . . 0.0 109.985 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.0 -149.34 20.75 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.542 -1.023 . . . . 0.0 110.542 -177.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.2 t -124.58 153.43 42.17 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.231 0.612 . . . . 0.0 110.827 178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.488 ' CE2' ' HG2' ' A' ' 52' ' ' ARG . 52.9 m-85 -139.46 156.31 47.02 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.506 1.122 . . . . 0.0 113.273 -175.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -138.82 152.71 48.1 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.863 0.363 . . . . 0.0 110.194 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.55 158.67 15.75 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 -179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 68.0 ttt-85 -142.22 151.99 42.65 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.57 0.623 . . . . 0.0 110.986 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -125.17 138.1 54.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.341 1.056 . . . . 0.0 111.427 -171.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -141.04 134.54 29.95 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.757 0.823 . . . . 0.0 109.26 168.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -155.32 108.52 2.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 59.22 -123.35 33.17 Favored Glycine 0 CA--C 1.528 0.887 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.2 m -83.66 -6.92 59.56 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 177.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 48.8 tpp -67.62 136.24 54.11 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.316 0.507 . . . . 0.0 111.175 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -148.27 121.26 8.8 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.818 1.247 . . . . 0.0 109.515 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.468 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 60.1 t-105 -160.35 131.6 5.76 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 118.104 0.411 . . . . 0.0 110.881 174.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 44.3 t -103.22 134.06 47.25 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -85.18 78.15 9.89 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.1 pttt -147.95 159.93 43.36 Favored 'General case' 0 C--N 1.334 -0.066 0 C-N-CA 124.454 1.101 . . . . 0.0 109.181 -178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.3 p -80.59 153.83 27.79 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -175.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -138.06 -163.37 1.44 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.35 1.46 . . . . 0.0 110.11 178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.76 -49.73 4.32 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 125.356 1.462 . . . . 0.0 112.894 -177.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -14.93 3.15 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 177.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -77.66 140.26 39.56 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -136.83 141.17 42.84 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 123.31 0.644 . . . . 0.0 110.663 -176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.18 164.94 38.13 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' A' ' 128' ' ' LYS . 1.7 tpmt? -72.1 154.18 41.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.973 0.909 . . . . 0.0 111.28 -176.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -139.77 167.66 21.59 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 124.626 1.17 . . . . 0.0 110.658 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 21.2 tp -114.22 122.38 46.6 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.249 0.619 . . . . 0.0 110.315 -176.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 58.3 m -99.08 128.88 45.3 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 171.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 42.4 t -105.24 148.01 10.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.118 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 172.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.34 155.3 45.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.053 -1.462 . . . . 0.0 107.053 -176.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 59.1 t -133.76 142.98 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.123 0.569 . . . . 0.0 110.094 -176.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 6.3 t -141.84 146.17 35.53 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.251 0.62 . . . . 0.0 112.224 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.51 150.66 38.12 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 -178.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.608 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.2 OUTLIER -64.92 -19.4 65.91 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 172.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.32 1.0 OUTLIER 55.04 14.11 0.9 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 117.994 2.59 . . . . 0.0 117.994 171.45 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -129.67 -4.59 4.68 Favored 'General case' 0 N--CA 1.458 -0.03 0 O-C-N 121.646 -0.658 . . . . 0.0 111.651 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -171.8 175.71 45.12 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 -177.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 48.1 t -156.76 -37.77 0.08 Allowed 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.876 0.47 . . . . 0.0 110.821 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 92.5 mt -83.18 5.48 22.63 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.431 0.692 . . . . 0.0 110.991 177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 145' ' ' ARG . 21.4 t -61.92 135.25 94.51 Favored Pre-proline 0 CA--C 1.529 0.173 0 C-N-CA 123.458 0.703 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -70.79 -21.37 28.77 Favored 'Trans proline' 0 N--CA 1.455 -0.755 0 C-N-CA 123.274 2.65 . . . . 0.0 112.242 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.525 ' H ' HG12 ' A' ' 143' ' ' VAL . 38.5 mtp180 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 124.626 1.17 . . . . 0.0 111.499 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.543 ' H5 ' ' CZ ' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.468 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 ttp . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 111.434 0.161 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -75.9 -23.73 55.56 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.372 0.269 . . . . 0.0 111.711 -179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.92 170.07 53.27 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.815 -0.514 . . . . 0.0 111.815 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -65.76 153.37 42.01 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 114.561 1.319 . . . . 0.0 114.561 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -71.89 168.37 18.08 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.312 0.645 . . . . 0.0 110.863 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -64.33 140.16 58.84 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.979 178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -57.55 132.47 53.27 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.56 85.62 Favored Glycine 0 CA--C 1.527 0.803 0 CA-C-O 119.679 -0.512 . . . . 0.0 113.112 -177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.22 127.46 30.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.533 1.166 . . . . 0.0 111.914 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.64 -7.06 82.61 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 119.42 -0.656 . . . . 0.0 111.889 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -101.92 104.03 14.72 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 117.766 0.783 . . . . 0.0 110.25 175.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.459 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -141.47 160.56 39.88 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.742 177.209 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -146.35 147.04 30.91 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.724 -175.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.459 HE22 HD23 ' A' ' 12' ' ' LEU . 23.0 mp0 -127.42 125.62 40.94 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.076 0.55 . . . . 0.0 109.921 178.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.409 ' H ' ' HG2' ' A' ' 128' ' ' LYS . 9.5 p -152.34 158.42 4.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 C-N-CA 122.574 0.35 . . . . 0.0 111.19 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 tp60 -53.48 131.22 37.88 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.988 0.915 . . . . 0.0 109.998 175.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -75.03 -29.9 60.93 Favored 'General case' 0 CA--C 1.523 -0.059 0 N-CA-C 112.967 0.729 . . . . 0.0 112.967 -174.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -154.15 123.02 6.31 Favored 'General case' 0 CA--C 1.522 -0.097 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.456 HG21 HG22 ' A' ' 29' ' ' VAL . 38.0 t -111.84 127.7 68.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.296 1.1 p -113.34 129.11 56.62 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 169.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.8 p -133.32 147.36 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.155 -179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.45 157.1 38.27 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.948 0.404 . . . . 0.0 110.396 177.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -73.92 129.43 37.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.619 -0.676 . . . . 0.0 110.089 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.44 1.02 60.8 Favored Glycine 0 CA--C 1.532 1.097 0 CA-C-O 118.755 -1.025 . . . . 0.0 114.837 175.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.36 179.29 6.12 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.406 1.603 . . . . 0.0 111.466 176.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 88.8 p -102.4 168.8 9.09 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -175.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.7 p -153.78 154.87 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.455 1.102 . . . . 0.0 110.506 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.445 ' CE1' HD13 ' A' ' 83' ' ' LEU . 6.6 t60 -110.08 141.97 42.18 Favored 'General case' 0 CA--C 1.528 0.134 0 C-N-CA 123.98 0.912 . . . . 0.0 109.873 179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 HG21 ' A' ' 19' ' ' VAL . 40.8 t -131.48 112.87 15.41 Favored Pre-proline 0 N--CA 1.457 -0.122 0 C-N-CA 123.177 0.591 . . . . 0.0 110.78 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -75.18 135.92 19.37 Favored 'Trans proline' 0 N--CA 1.449 -1.138 0 C-N-CA 122.98 2.453 . . . . 0.0 110.149 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 50.7 t -148.69 142.92 26.1 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.909 0.484 . . . . 0.0 110.252 178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 71.8 m -143.53 153.4 42.55 Favored 'General case' 0 CA--C 1.524 -0.022 0 C-N-CA 123.858 0.863 . . . . 0.0 110.916 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -149.8 171.41 16.78 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 118.362 0.528 . . . . 0.0 112.379 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.2 t -148.39 153.52 38.67 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 122.747 0.419 . . . . 0.0 110.816 176.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 18.0 p90 -154.55 160.57 30.79 Favored Pre-proline 0 CA--C 1.529 0.156 0 C-N-CA 124.06 0.944 . . . . 0.0 113.302 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -59.25 153.19 54.78 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.098 2.532 . . . . 0.0 111.849 176.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.494 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.0 pt20 -82.28 14.29 3.03 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -178.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -92.88 150.38 20.63 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -179.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.29 6.12 86.51 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 119.244 -0.753 . . . . 0.0 113.531 175.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.494 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 70.4 p-90 -148.34 175.26 11.25 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 118.536 1.168 . . . . 0.0 111.752 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -143.49 162.55 35.52 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -59.64 -21.43 60.46 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.3 m -75.29 -14.62 60.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 122.872 0.469 . . . . 0.0 111.851 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -96.59 125.55 46.66 Favored Pre-proline 0 CA--C 1.532 0.265 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -75.81 151.87 36.44 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.293 2.662 . . . . 0.0 110.603 176.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.3 t -83.46 99.18 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.42 ' CG ' HD21 ' A' ' 67' ' ' ASN . 25.7 m170 -84.09 123.28 29.88 Favored 'General case' 0 N--CA 1.453 -0.309 0 O-C-N 121.557 -0.715 . . . . 0.0 110.786 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.17 157.23 18.49 Favored Glycine 0 C--N 1.335 0.508 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -151.7 149.93 29.65 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -118.68 147.43 43.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.884 0.474 . . . . 0.0 111.911 173.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -140.47 152.5 45.69 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 -176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -77.1 137.98 39.25 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.58 135.01 57.23 Favored 'General case' 0 N--CA 1.452 -0.332 0 O-C-N 122.033 -0.417 . . . . 0.0 110.741 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 84.74 -3.42 86.87 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 118.314 -1.27 . . . . 0.0 114.137 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -84.8 -176.78 6.37 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.625 1.712 . . . . 0.0 107.772 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -121.8 108.44 34.95 Favored Pre-proline 0 C--N 1.339 0.116 0 C-N-CA 122.953 0.501 . . . . 0.0 109.773 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -72.67 -12.54 26.77 Favored 'Trans proline' 0 N--CA 1.456 -0.685 0 C-N-CA 123.511 2.807 . . . . 0.0 112.324 -176.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.476 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 8.2 m-85 -83.51 -8.22 59.39 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 -176.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -151.55 25.92 0.67 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.432 0.56 . . . . 0.0 111.986 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -152.26 159.81 43.46 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 177.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.55 151.36 71.55 Favored Pre-proline 0 N--CA 1.451 -0.397 0 C-N-CA 122.48 0.312 . . . . 0.0 110.862 -178.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.48 157.56 44.85 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 123.301 2.667 . . . . 0.0 109.872 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 m -78.4 -20.52 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.095 0 O-C-N 121.649 -0.657 . . . . 0.0 109.872 173.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.18 147.51 16.28 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 122.9 0.48 . . . . 0.0 109.886 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.2 t -153.89 157.2 38.89 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.387 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.27 -7.12 56.08 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.393 179.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.42 HD21 ' CG ' ' A' ' 47' ' ' HIS . 5.3 m-80 -69.92 140.43 88.75 Favored Pre-proline 0 N--CA 1.454 -0.251 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -76.84 -20.0 13.7 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 123.381 2.721 . . . . 0.0 111.544 174.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -107.87 -24.77 11.52 Favored 'General case' 0 C--N 1.34 0.182 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -175.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -75.55 140.77 42.92 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 120.74 0.305 . . . . 0.0 110.725 -178.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.6 pm0 -76.83 177.95 7.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.46 0.704 . . . . 0.0 111.264 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.0 m -144.88 163.61 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 124.126 0.971 . . . . 0.0 110.829 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -54.97 144.25 23.8 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.647 0.379 . . . . 0.0 111.752 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.54 62.87 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -83.0 -7.13 59.7 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.081 0.4 . . . . 0.0 111.135 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.432 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 3.0 p -121.15 3.85 10.38 Favored 'General case' 0 N--CA 1.462 0.125 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -64.07 123.23 18.5 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -175.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.83 2.8 65.87 Favored Glycine 0 CA--C 1.532 1.113 0 CA-C-O 119.268 -0.74 . . . . 0.0 113.048 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 32.2 mtm105 -115.91 -28.37 6.69 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 118.245 1.023 . . . . 0.0 112.052 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 7.0 m-85 -106.15 127.42 53.19 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 113.853 1.056 . . . . 0.0 113.853 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -146.83 142.42 27.67 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.4 mp -73.99 154.39 39.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.313 0.645 . . . . 0.0 109.755 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.3 mt -132.33 172.18 12.77 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 124.051 0.94 . . . . 0.0 110.109 -179.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 80.55 -175.74 54.82 Favored Glycine 0 CA--C 1.527 0.829 0 CA-C-O 121.141 0.301 . . . . 0.0 113.198 174.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -92.5 133.5 35.87 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -176.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 54.5 mt -63.59 -38.04 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.465 0.706 . . . . 0.0 110.834 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 42.3 m95 -88.5 16.94 5.8 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 122.805 0.442 . . . . 0.0 111.112 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t -130.81 14.94 5.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.264 0.626 . . . . 0.0 110.935 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 55.83 35.37 25.26 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.729 0.811 . . . . 0.0 113.047 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -78.55 128.48 33.59 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.774 -0.371 . . . . 0.0 111.633 174.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.469 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 6.0 p -114.78 14.56 17.45 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.27 0.628 . . . . 0.0 111.2 175.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.5 m -54.03 150.64 7.75 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.223 0.609 . . . . 0.0 110.898 -175.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 32.5 tp -136.01 149.8 48.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.389 0.676 . . . . 0.0 110.716 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.471 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.5 t -125.28 136.42 53.5 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.197 0.599 . . . . 0.0 109.659 173.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -108.3 137.55 39.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 171.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -128.81 148.36 50.87 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 122.866 0.466 . . . . 0.0 109.846 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.0 t0 47.25 53.12 11.23 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.09 45.25 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -173.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -137.84 163.63 30.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.197 0.999 . . . . 0.0 109.662 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -60.63 -15.7 31.04 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.526 0.936 . . . . 0.0 113.526 -172.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -82.36 -6.99 59.62 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.248 0.477 . . . . 0.0 111.509 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -90.0 -19.4 24.49 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 122.663 0.385 . . . . 0.0 110.26 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -69.44 133.58 47.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.155 0.582 . . . . 0.0 109.953 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 152.88 -150.46 22.24 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.96 152.66 42.25 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.802 0.441 . . . . 0.0 111.079 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -141.09 162.29 35.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.274 1.03 . . . . 0.0 111.606 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -144.06 156.64 44.45 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 175.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -101.65 157.37 16.88 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -178.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 48.2 ttt85 -137.79 148.07 45.2 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 121.06 0.457 . . . . 0.0 110.883 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.2 tp -121.86 134.73 54.88 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.607 1.163 . . . . 0.0 109.794 -175.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -140.13 130.21 24.93 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 169.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -154.19 108.6 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 60.21 -123.45 33.04 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 108.826 -1.71 . . . . 0.0 108.826 -172.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.5 t -83.77 -11.16 57.47 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.15 0.58 . . . . 0.0 111.798 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 47.4 tpp -66.15 139.85 58.16 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 122.02 -0.425 . . . . 0.0 111.33 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.411 ' HB2' ' H4 ' ' A' ' 205' ' ' SIA . 60.1 mttm -151.89 128.34 10.67 Favored 'General case' 0 C--N 1.337 0.063 0 C-N-CA 124.343 1.057 . . . . 0.0 108.701 177.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 60.1 t-105 -161.56 129.48 4.2 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.217 0.462 . . . . 0.0 110.873 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 58.6 m -99.43 126.65 45.38 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -79.6 78.1 6.17 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -144.02 152.05 40.51 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.761 0.824 . . . . 0.0 109.355 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.5 p -69.88 154.68 41.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -146.05 -159.36 1.0 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -176.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -46.0 -49.34 16.15 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 124.123 0.969 . . . . 0.0 112.827 -174.441 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -132.31 -17.13 2.68 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.788 0.435 . . . . 0.0 112.166 176.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -76.01 143.81 41.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -138.09 141.3 40.24 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.203 0.601 . . . . 0.0 110.409 -176.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.1 t -156.72 166.72 32.6 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 177.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.409 ' HG2' ' H ' ' A' ' 15' ' ' VAL . 15.9 tppt? -72.86 154.71 40.48 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.649 1.18 . . . . 0.0 111.714 -175.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -140.15 167.67 21.6 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 124.394 1.077 . . . . 0.0 110.635 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 24.7 tp -113.76 124.98 53.58 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.355 0.662 . . . . 0.0 110.293 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 65.6 m -100.96 131.43 46.84 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 170.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 41.5 t -109.19 148.22 13.15 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 122.575 0.35 . . . . 0.0 110.278 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -141.36 155.2 45.95 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.06 143.08 39.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.091 0.556 . . . . 0.0 110.48 -176.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.5 t -142.42 145.34 33.7 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -73.95 150.99 40.46 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 122.138 -0.351 . . . . 0.0 110.709 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.75 -22.48 66.99 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 173.646 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.327 1.0 OUTLIER 54.43 12.48 0.53 Allowed 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 117.92 2.563 . . . . 0.0 117.92 172.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.1 172.77 14.74 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.781 -0.574 . . . . 0.0 111.331 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 175.8 176.11 43.75 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 86.3 p -158.25 171.7 19.72 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 123.079 0.552 . . . . 0.0 110.262 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 84.8 mt -75.63 -1.98 27.16 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.538 0.335 . . . . 0.0 111.429 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 2.9 t 62.44 130.71 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 125.033 1.333 . . . . 0.0 113.719 -176.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -66.22 -25.97 49.72 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 122.76 2.307 . . . . 0.0 112.151 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 116.985 -1.483 . . . . 0.0 112.487 177.053 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.476 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.411 ' H4 ' ' HB2' ' A' ' 116' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.64 0.257 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.8 pm0 -74.45 8.07 2.5 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.454 0.701 . . . . 0.0 111.96 -179.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.84 14.51 67.3 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 62.69 163.73 0.1 Allowed 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -176.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.6 ptt180 -156.25 170.25 22.67 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.092 0.557 . . . . 0.0 110.478 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.82 140.39 58.86 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.255 0.622 . . . . 0.0 109.647 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -58.04 133.99 56.02 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.89 11.77 85.18 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-O 119.808 -0.44 . . . . 0.0 112.906 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.33 131.91 46.77 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.513 1.157 . . . . 0.0 112.595 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.98 -8.18 77.37 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-O 119.613 -0.548 . . . . 0.0 112.239 179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -101.13 102.44 13.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.835 0.818 . . . . 0.0 110.532 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD23 HE22 ' A' ' 14' ' ' GLN . 0.0 OUTLIER -140.25 160.6 39.59 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.502 0.668 . . . . 0.0 110.654 177.081 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 tt -147.57 145.55 29.09 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.363 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.453 HE22 HD23 ' A' ' 12' ' ' LEU . 22.0 mp0 -124.95 127.08 46.49 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.23 157.53 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 122.63 0.372 . . . . 0.0 111.479 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -53.4 131.58 38.12 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.821 0.848 . . . . 0.0 110.135 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -74.65 -30.84 61.76 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.0 tp -154.45 121.99 5.78 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 121.023 0.439 . . . . 0.0 109.86 -178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.489 HG21 HG22 ' A' ' 29' ' ' VAL . 40.8 t -109.84 127.09 66.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 178.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.292 1.1 p -113.0 128.85 56.61 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 169.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.1 p -132.95 147.43 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.374 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -72.18 155.65 40.01 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.005 0.431 . . . . 0.0 110.638 177.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -72.89 127.38 32.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 O-C-N 121.707 -0.62 . . . . 0.0 109.944 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.32 1.65 59.23 Favored Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.683 -1.065 . . . . 0.0 115.107 175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.92 178.51 6.72 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.403 1.601 . . . . 0.0 111.614 176.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.7 p -102.08 168.53 9.32 Favored 'General case' 0 CA--C 1.527 0.076 0 N-CA-C 113.47 0.915 . . . . 0.0 113.47 -175.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.5 p -154.4 156.68 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.116 0 C-N-CA 124.434 1.094 . . . . 0.0 110.911 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.444 ' CE1' HD13 ' A' ' 83' ' ' LEU . 7.0 t60 -110.44 143.34 40.88 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 124.135 0.974 . . . . 0.0 109.804 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.489 HG22 HG21 ' A' ' 19' ' ' VAL . 40.6 t -132.31 112.46 14.28 Favored Pre-proline 0 N--CA 1.457 -0.123 0 C-N-CA 123.259 0.624 . . . . 0.0 110.701 177.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -75.3 135.05 18.04 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 122.825 2.35 . . . . 0.0 110.252 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.47 ' HB3' ' C ' ' A' ' 91' ' ' CYS . 52.9 t -147.98 147.59 29.81 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 122.889 0.475 . . . . 0.0 109.997 178.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.8 t -147.67 155.81 42.14 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.349 0.66 . . . . 0.0 110.654 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -151.58 169.76 21.31 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.6 t -146.93 154.2 40.99 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.992 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -152.66 161.02 30.33 Favored Pre-proline 0 N--CA 1.455 -0.178 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.26 151.15 61.97 Favored 'Trans proline' 0 N--CA 1.455 -0.736 0 C-N-CA 123.571 2.848 . . . . 0.0 111.772 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.437 ' HA ' ' CZ2' ' A' ' 40' ' ' TRP . 3.6 pt20 -90.16 36.31 0.87 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -176.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -130.03 156.56 44.28 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.76 2.88 84.03 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-O 119.797 -0.446 . . . . 0.0 112.269 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.437 ' CZ2' ' HA ' ' A' ' 37' ' ' GLN . 69.5 p-90 -151.3 175.69 11.96 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 117.736 0.768 . . . . 0.0 110.734 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.0 t -145.58 163.52 34.52 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -61.5 -21.78 64.51 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.115 0.566 . . . . 0.0 112.089 -178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.8 m -76.57 -17.03 59.44 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 179.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -97.89 120.38 60.26 Favored Pre-proline 0 N--CA 1.457 -0.113 0 C-N-CA 122.529 0.332 . . . . 0.0 110.841 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -74.36 153.05 44.93 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.55 2.167 . . . . 0.0 110.535 176.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.7 t -74.5 152.43 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.437 ' CD2' HD22 ' A' ' 67' ' ' ASN . 26.4 m80 -136.21 130.53 33.27 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-O 120.697 0.284 . . . . 0.0 110.48 171.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -106.69 157.09 15.88 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -150.93 146.03 26.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -178.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 62.7 m95 -115.91 147.86 40.65 Favored 'General case' 0 C--O 1.231 0.091 0 C-N-CA 123.152 0.581 . . . . 0.0 111.919 173.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -141.1 150.71 43.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.4 mtm180 -76.65 137.67 39.58 Favored 'General case' 0 C--O 1.227 -0.091 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.23 135.41 57.1 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 122.034 -0.416 . . . . 0.0 110.294 -178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 87.16 -4.76 86.06 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 118.997 -0.89 . . . . 0.0 114.247 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -85.91 -176.7 6.1 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.467 1.634 . . . . 0.0 107.699 178.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.5 mmt85 -119.4 105.62 43.81 Favored Pre-proline 0 CA--C 1.529 0.153 0 C-N-CA 122.73 0.412 . . . . 0.0 109.937 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_endo -71.16 -8.83 24.34 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 123.594 2.862 . . . . 0.0 112.198 -175.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.499 ' CE2' ' H5 ' ' A' ' 204' ' ' G6S . 32.1 m-85 -82.66 -6.33 59.31 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.318 0.647 . . . . 0.0 109.476 -176.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -151.5 -24.06 0.2 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -81.68 156.15 25.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 118.342 0.519 . . . . 0.0 110.417 175.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.22 147.23 72.41 Favored Pre-proline 0 N--CA 1.453 -0.307 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 176.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -71.64 157.35 55.99 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 123.55 2.833 . . . . 0.0 109.824 175.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.3 m -79.48 -21.2 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 CA-C-N 118.075 0.398 . . . . 0.0 110.126 173.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -160.61 145.78 14.54 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 t -159.14 155.92 28.11 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 122.292 0.237 . . . . 0.0 111.002 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -86.04 -3.6 58.98 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.051 0.54 . . . . 0.0 111.974 174.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.437 HD22 ' CD2' ' A' ' 47' ' ' HIS . 2.1 m120 -62.97 135.61 96.25 Favored Pre-proline 0 N--CA 1.455 -0.196 0 O-C-N 122.082 -0.386 . . . . 0.0 111.163 177.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -77.8 -19.73 12.41 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 123.349 2.699 . . . . 0.0 111.48 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -113.12 -25.13 9.07 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 116.745 2.128 . . . . 0.0 116.745 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -75.38 139.61 42.47 Favored 'General case' 0 N--CA 1.456 -0.14 0 CA-C-N 118.105 0.411 . . . . 0.0 110.456 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -80.08 173.84 12.19 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 122.93 0.492 . . . . 0.0 110.439 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.9 m -136.81 162.95 33.94 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 C-N-CA 123.413 0.685 . . . . 0.0 111.441 177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -54.13 140.92 30.65 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.662 0.385 . . . . 0.0 111.392 -178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.47 -24.35 62.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -83.01 -7.13 59.7 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 117.918 0.326 . . . . 0.0 110.762 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.434 ' HB ' ' CD1' ' A' ' 80' ' ' PHE . 2.6 p -123.3 4.47 9.13 Favored 'General case' 0 C--O 1.232 0.184 0 N-CA-C 114.398 1.258 . . . . 0.0 114.398 179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -62.56 121.49 13.44 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.84 -6.99 23.27 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.355 -0.692 . . . . 0.0 113.34 179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 31.7 mtm105 -102.27 -28.02 12.51 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.556 1.178 . . . . 0.0 111.91 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.434 ' CD1' ' HB ' ' A' ' 76' ' ' THR . 6.5 m-85 -105.59 127.87 53.29 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 176.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -146.25 139.33 25.72 Favored 'General case' 0 N--CA 1.461 0.091 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.0 mp -73.69 154.39 39.68 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 123.598 0.759 . . . . 0.0 109.586 175.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 94' ' ' SER . 12.7 mt -132.3 172.66 12.16 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.131 0.972 . . . . 0.0 110.2 -178.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.31 -178.87 52.44 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 121.09 0.272 . . . . 0.0 113.275 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -87.44 132.91 33.84 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 114.019 1.118 . . . . 0.0 114.019 -177.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 58.2 mt -62.42 -40.07 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.56 0.744 . . . . 0.0 111.111 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 56.1 m95 -82.81 -4.36 57.91 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 122.441 0.297 . . . . 0.0 111.059 -175.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.4 t -101.7 10.16 40.32 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.42 0.688 . . . . 0.0 111.308 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 56.72 33.87 23.63 Favored 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -79.0 127.64 32.24 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.13 -0.356 . . . . 0.0 111.447 175.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.47 ' C ' ' HB3' ' A' ' 31' ' ' CYS . 4.9 p -112.25 13.84 20.47 Favored 'General case' 0 N--CA 1.457 -0.08 0 C-N-CA 122.97 0.508 . . . . 0.0 111.013 175.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 67.9 m -53.2 150.64 5.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.252 0.621 . . . . 0.0 110.989 -175.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 27.3 tp -136.59 150.52 48.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.644 -173.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.506 ' HB2' HD11 ' A' ' 83' ' ' LEU . 22.6 t -126.93 135.23 50.62 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.071 0.548 . . . . 0.0 109.874 172.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.7 mp -104.64 138.5 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 171.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -127.8 147.28 50.42 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 52.7 t0 47.68 51.57 13.82 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.85 143.51 36.95 Favored 'General case' 0 C--N 1.342 0.247 0 C-N-CA 122.696 0.398 . . . . 0.0 112.064 -174.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -137.51 161.15 37.16 Favored 'General case' 0 CA--C 1.522 -0.122 0 C-N-CA 124.725 1.21 . . . . 0.0 109.714 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -60.02 -14.68 17.48 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 -172.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -85.63 -5.78 59.23 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.157 0.435 . . . . 0.0 111.74 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -90.68 -18.79 24.46 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 17.8 ttpp -67.36 134.84 52.26 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.278 0.631 . . . . 0.0 109.922 177.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.08 -151.33 23.14 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 29.0 t -123.7 152.77 41.71 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 117.202 0.501 . . . . 0.0 111.146 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -141.28 160.29 40.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.3 1.04 . . . . 0.0 111.5 -177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -142.54 158.0 44.14 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -103.45 160.28 14.85 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -140.59 149.88 42.92 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.167 0.439 . . . . 0.0 110.856 -179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.8 tp -124.99 133.62 52.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.538 1.135 . . . . 0.0 110.072 -175.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -140.13 132.17 27.86 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 169.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -154.25 111.1 3.35 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 57.61 -124.01 34.64 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 108.985 -1.646 . . . . 0.0 108.985 -172.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.8 t -83.18 -11.85 57.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.016 0.527 . . . . 0.0 111.784 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 49.2 tpp -64.51 136.95 57.57 Favored 'General case' 0 C--N 1.34 0.172 0 O-C-N 121.504 -0.748 . . . . 0.0 111.428 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -147.34 125.0 11.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.909 1.284 . . . . 0.0 109.676 177.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.466 ' CE3' ' H7 ' ' A' ' 205' ' ' SIA . 63.7 t-105 -159.41 135.93 9.18 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.046 0.384 . . . . 0.0 110.966 173.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 19.2 t -108.12 127.69 54.03 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.0 0.92 . . . . 0.0 109.579 175.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -83.1 78.33 9.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -176.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 25.4 pttm -145.33 153.42 41.24 Favored 'General case' 0 CA--C 1.523 -0.087 0 C-N-CA 122.917 0.487 . . . . 0.0 109.982 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.1 p -69.15 153.08 44.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.701 0.286 . . . . 0.0 110.896 -178.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -143.68 -160.57 1.13 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.399 0.68 . . . . 0.0 109.421 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' A' ' 123' ' ' LEU . 0.0 OUTLIER -47.2 -48.99 23.72 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.1 0.96 . . . . 0.0 113.076 -174.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.86 -16.75 2.88 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 176.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -76.01 141.8 42.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -138.49 141.39 39.41 Favored 'General case' 0 CA--C 1.526 0.052 0 C-N-CA 122.922 0.489 . . . . 0.0 110.081 -176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 4.6 t -155.72 166.19 34.26 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -72.73 155.42 39.99 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.27 1.028 . . . . 0.0 111.81 -175.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -139.38 166.72 23.82 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 124.367 1.067 . . . . 0.0 110.342 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 tp -113.78 124.58 52.59 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.485 0.714 . . . . 0.0 110.346 -178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 64.8 m -101.18 130.75 47.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 40.2 t -107.71 148.34 11.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 C-N-CA 122.71 0.404 . . . . 0.0 110.154 173.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.18 155.2 45.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 47.6 t -134.85 142.8 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.038 0.535 . . . . 0.0 110.394 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 5.9 t -141.52 146.79 36.82 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.95 151.2 38.87 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 122.03 -0.419 . . . . 0.0 110.7 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 137' ' ' LEU . 0.1 OUTLIER -64.91 -21.75 66.87 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 173.469 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . 0.337 0.9 OUTLIER 55.17 11.37 0.53 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 118.06 2.615 . . . . 0.0 118.06 172.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -151.55 173.35 14.72 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.617 -0.677 . . . . 0.0 111.189 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 179.62 175.44 46.42 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.0 t 56.72 -172.08 0.08 Allowed 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.143 0.977 . . . . 0.0 111.714 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 47.3 mt 57.62 12.87 1.71 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.348 1.059 . . . . 0.0 112.176 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.83 131.93 95.08 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 122.889 0.475 . . . . 0.0 110.878 178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -69.04 140.81 46.36 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 122.986 2.457 . . . . 0.0 110.017 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 116.995 -1.479 . . . . 0.0 110.595 -176.031 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' 0D8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' FUC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' G6S . . . . . 0.499 ' H5 ' ' CE2' ' A' ' 58' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' SIA . . . . . 0.466 ' H7 ' ' CE3' ' A' ' 117' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_