data_1mh6_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 1mh6 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 202' ' ' THR . . . . . 0.679 HG21 ' HB2' ' B' ' 42' ' ' ASP . 89.2 m . . . . . 0 CA--C 1.556 1.195 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ASP . . . . . 0.915 ' O ' ' CA ' ' B' ' 42' ' ' ASP . 0.1 OUTLIER -60.62 92.42 0.03 OUTLIER 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 118.746 0.703 . . . . 0.0 109.768 158.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' B' ' 42' ' ' ASP . 3.4 pt20 -125.6 121.02 32.39 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.549 0.74 . . . . 0.0 111.269 -164.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ALA . . . . . 0.593 ' O ' ' HA ' ' B' ' 6' ' ' THR . . . -85.8 117.7 24.84 Favored 'General case' 0 CA--C 1.56 1.35 0 O-C-N 120.418 -1.426 . . . . 0.0 111.93 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' THR . . . . . 0.835 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 65.6 p -115.06 137.04 22.71 Favored Pre-proline 0 CA--C 1.58 2.105 0 C-N-CA 123.259 0.624 . . . . 0.0 111.631 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . 0.567 ' HD3' ' C ' ' B' ' 5' ' ' ALA . 90.8 Cg_endo -76.57 138.49 19.43 Favored 'Trans proline' 0 CA--C 1.558 1.718 0 C-N-CA 122.987 2.458 . . . . 0.0 115.546 -173.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ASN . . . . . 0.698 HD22 ' HB2' ' B' ' 63' ' ' CYS . 6.1 m120 -114.6 97.87 6.54 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.587 0.708 . . . . 0.0 109.127 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 79.0 mt -105.15 158.68 31.57 Favored Pre-proline 0 CA--C 1.577 2.015 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -165.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -83.06 133.73 6.7 Favored 'Trans proline' 0 CA--C 1.572 2.392 0 C-N-CA 122.364 2.043 . . . . 0.0 114.654 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' SER . . . . . . . . . . . . . 16.5 t -132.04 133.47 44.44 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 123.418 0.687 . . . . 0.0 110.506 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -76.62 -57.04 4.08 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -106.11 131.81 52.93 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-O 122.817 1.294 . . . . 0.0 109.68 168.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -79.96 -13.35 59.41 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 117.528 2.418 . . . . 0.0 117.528 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . 0.456 ' CG ' HH12 ' A' ' 231' ' ' ARG . 24.6 m-20 -80.01 -49.35 11.94 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-N 121.102 1.774 . . . . 0.0 113.001 162.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 44.6 m -57.96 -52.15 66.69 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 27.5 m -64.63 -38.67 91.79 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 173.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.86 16.28 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 167.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' ALA . . . . . . . . . . . . . . . -54.63 -23.02 15.29 Favored 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 118.523 2.786 . . . . 0.0 118.523 169.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.17 -59.16 4.76 Favored 'General case' 0 CA--C 1.576 1.947 0 O-C-N 119.843 -1.786 . . . . 0.0 114.835 162.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -79.52 -36.67 38.13 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 116.855 2.169 . . . . 0.0 116.855 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -34.21 -59.55 0.43 Allowed 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 172.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -55.02 -28.79 54.84 Favored 'General case' 0 CA--C 1.579 2.081 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' LEU . . . . . . . . . . . . . 66.7 mt -72.94 12.75 0.48 Allowed 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 166.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 80.7 26.78 53.09 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 119.085 2.394 . . . . 0.0 119.085 -172.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -99.31 104.46 16.36 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 120.085 1.942 . . . . 0.0 110.379 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -71.32 133.5 21.96 Favored Glycine 0 N--CA 1.488 2.124 0 O-C-N 121.266 -0.896 . . . . 0.0 115.271 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 25.1 mt -81.39 87.39 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' VAL . . . . . . . . . . . . . 28.4 m -84.04 -32.8 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -132.39 138.53 47.73 Favored 'General case' 0 CA--C 1.567 1.612 0 O-C-N 121.07 -1.019 . . . . 0.0 110.123 168.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ARG . . . . . 0.456 HH12 ' CG ' ' A' ' 215' ' ' ASP . 71.0 ttt180 -151.35 126.52 9.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.157 -0.964 . . . . 0.0 110.728 163.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' ASP . . . . . . . . . . . . 0.286 1.9 p-10 -112.14 -138.95 0.38 Allowed 'General case' 0 CA--C 1.588 2.415 0 CA-C-O 121.623 0.725 . . . . 0.0 110.715 161.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' ALA . . . . . . . . . . . . . . . -88.26 -34.83 17.59 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 157.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . -87.58 -36.1 8.9 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 119.534 2.573 . . . . 0.0 119.534 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -122.55 143.29 49.82 Favored 'General case' 0 CA--C 1.573 1.859 0 CA-C-N 119.654 1.727 . . . . 0.0 113.137 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' MET . . . . . . . . . . . . . 65.2 ttp -144.26 108.47 4.79 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.56 -1.337 . . . . 0.0 112.25 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.51 114.07 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.006 -1.059 . . . . 0.0 109.804 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' LEU . . . . . . . . . . . . . 64.6 mt -109.64 117.2 33.31 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 123.87 0.868 . . . . 0.0 109.196 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -133.79 113.65 12.52 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 120.352 1.433 . . . . 0.0 114.829 -164.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 -98.12 88.07 4.11 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.715 -1.24 . . . . 0.0 110.062 168.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . 77.36 -99.45 1.45 Allowed Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.901 -1.124 . . . . 0.0 113.562 -170.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' ASP . . . . . 0.91 ' C ' ' O ' ' B' ' 3' ' ' ASP . 2.4 m-20 -118.22 30.59 7.15 Favored 'General case' 0 CA--C 1.588 2.418 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 158.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' LEU . . . . . . . . . . . . . 50.7 mt -77.05 66.32 2.84 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 118.362 -2.711 . . . . 0.0 111.568 164.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' MET . . . . . . . . . . . . . 37.2 ttm -86.01 93.53 8.99 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 121.754 0.788 . . . . 0.0 111.337 -165.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.77 101.72 14.11 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.698 -0.626 . . . . 0.0 109.581 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -98.9 79.93 2.44 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 122.716 1.246 . . . . 0.0 110.817 -168.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -74.15 131.46 41.3 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 -166.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -97.15 145.35 26.1 Favored 'General case' 0 CA--C 1.566 1.579 0 O-C-N 121.659 -0.651 . . . . 0.0 112.406 171.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' ALA . . . . . . . . . . . . . . . -72.5 99.8 2.58 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -115.48 90.65 26.18 Favored Pre-proline 0 CA--C 1.576 1.969 0 C-N-CA 123.63 0.772 . . . . 0.0 109.752 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.23 -35.41 19.16 Favored 'Trans proline' 0 CA--C 1.57 2.302 0 N-CA-C 117.8 2.192 . . . . 0.0 117.8 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . -89.97 65.02 2.97 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 116.302 1.281 . . . . 0.0 116.302 172.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.82 131.39 56.96 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.556 0.742 . . . . 0.0 110.898 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -88.34 128.49 53.04 Favored Pre-proline 0 CA--C 1.584 2.276 0 O-C-N 121.782 -0.574 . . . . 0.0 112.286 165.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -60.19 -31.32 92.95 Favored 'Trans proline' 0 CA--C 1.569 2.226 0 N-CA-C 119.845 2.979 . . . . 0.0 119.845 162.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.7 -47.76 37.08 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -83.18 39.55 0.66 Allowed 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 170.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 23.2 t -100.62 101.8 12.79 Favored 'General case' 0 CA--C 1.567 1.619 0 O-C-N 120.217 -1.552 . . . . 0.0 113.535 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' TRP . . . . . 0.403 ' CE3' ' CE1' ' B' ' 48' ' ' PHE . 93.7 m95 -71.42 -8.72 55.62 Favored 'General case' 0 CA--C 1.585 2.298 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 163.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -72.09 133.67 45.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.519 -1.363 . . . . 0.0 112.85 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' SER . . . . . . . . . . . . . 16.5 p -163.85 150.8 11.97 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.91 0.862 . . . . 0.0 113.189 -164.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' CYS . . . . . . . . . . . . . 19.2 p -148.56 146.31 28.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.376 -0.828 . . . . 0.0 112.275 168.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 7.5 m -83.65 108.88 17.02 Favored 'General case' 0 CA--C 1.562 1.424 0 O-C-N 120.668 -1.27 . . . . 0.0 112.859 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 264' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.77 100.12 6.15 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 166.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 265' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 -88.81 105.14 17.53 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.625 -0.672 . . . . 0.0 110.582 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 48.1 mt -102.7 142.23 34.19 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 123.847 0.859 . . . . 0.0 111.447 -164.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 267' ' ' ASP . . . . . . . . . . . . 0.411 93.6 m-20 -75.98 -36.04 59.39 Favored 'General case' 0 CA--C 1.624 3.798 0 CA-C-O 116.821 -1.561 . . . . 0.0 113.19 174.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 268' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -113.17 116.1 29.29 Favored 'General case' 0 N--CA 1.527 3.424 0 CA-C-N 124.428 3.285 . . . . 0.0 108.362 147.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.3 -44.55 88.58 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 166.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 270' ' ' ALA . . . . . . . . . . . . . . . -64.21 -27.78 69.3 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 271' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.58 -47.2 87.22 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 122.349 2.341 . . . . 0.0 116.631 171.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 272' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -54.49 -38.67 66.74 Favored 'General case' 0 CA--C 1.58 2.105 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 163.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 273' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.24 -38.25 66.07 Favored 'General case' 0 CA--C 1.58 2.12 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 274' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -46.8 -53.83 11.12 Favored 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 120.882 1.674 . . . . 0.0 114.79 156.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 275' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -63.06 -47.92 80.88 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 276' ' ' CYS . . . . . . . . . . . . . 80.4 m -53.3 -48.8 68.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 171.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 277' ' ' LYS . . . . . 0.461 ' HZ2' ' CD ' ' A' ' 283' ' ' GLU . 46.1 mtpt -70.94 -27.17 63.56 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 174.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 84.2 p -72.37 -47.81 46.56 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 166.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 279' ' ' VAL . . . . . . . . . . . . . 15.3 m -79.76 -21.07 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 280' ' ' GLY . . . . . . . . . . . . . . . 114.12 79.12 0.86 Allowed Glycine 0 N--CA 1.488 2.129 0 CA-C-N 119.466 1.03 . . . . 0.0 114.434 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 281' ' ' ILE . . . . . . . . . . . . . 35.8 mt -141.68 120.56 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 167.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -77.39 134.64 38.38 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -166.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 283' ' ' GLU . . . . . 0.461 ' CD ' ' HZ2' ' A' ' 277' ' ' LYS . 37.9 tt0 -86.8 101.77 13.65 Favored 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 124.07 0.948 . . . . 0.0 110.533 179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 284' ' ' THR . . . . . . . . . . . . . 9.7 t -150.44 145.49 26.07 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.13 -0.982 . . . . 0.0 112.337 -165.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 285' ' ' SER . . . . . . . . . . . . . 97.9 p -66.79 -66.71 0.52 Allowed 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 16.9 t -84.76 161.02 20.15 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 170.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 287' ' ' GLY . . . . . . . . . . . . . . . 100.65 165.34 28.26 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 117.021 1.568 . . . . 0.0 117.021 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 288' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -147.67 138.69 13.22 Favored Pre-proline 0 CA--C 1.582 2.192 0 C-N-CA 124.416 1.087 . . . . 0.0 110.346 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 289' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.6 154.71 99.03 Favored 'Cis proline' 0 CA--C 1.568 2.21 0 CA-C-N 123.303 2.215 . . . . 0.0 115.562 -2.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 290' ' ' ARG . . . . . . . . . . . . . 11.1 ptt-85 -153.53 166.13 33.71 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 22.5 pt -128.36 134.7 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 C-N-CA 124.368 1.067 . . . . 0.0 111.386 171.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -109.89 155.2 22.01 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 124.245 1.018 . . . . 0.0 111.598 164.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 293' ' ' ALA . . . . . . . . . . . . . . . -80.8 166.67 37.75 Favored Pre-proline 0 CA--C 1.58 2.119 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -157.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 294' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.35 84.55 0.16 Allowed 'Trans proline' 0 CA--C 1.573 2.435 0 C-N-CA 123.004 2.469 . . . . 0.0 116.715 172.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 295' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -104.59 158.46 16.48 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 122.017 0.913 . . . . 0.0 112.496 -167.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 296' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.54 135.59 33.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.367 -1.458 . . . . 0.0 113.246 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 297' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -125.84 158.2 35.64 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -159.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 298' ' ' GLU . . . . . 1.628 ' CA ' ' HB2' ' A' ' 298' ' ' GLU . . . -79.07 63.74 3.81 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 170.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 299' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -154.9 -44.47 0.08 Allowed 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 124.238 1.015 . . . . 0.0 113.465 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . -179.02 -65.85 0.07 OUTLIER Glycine 0 N--CA 1.486 2.022 0 O-C-N 121.387 -0.821 . . . . 0.0 113.447 -172.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' GLY . . . . . . . . . . . . . . . -118.49 -107.32 2.32 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' THR . . . . . . . . . . . . . 8.8 t -146.6 145.12 29.97 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.995 -0.709 . . . . 0.0 112.89 -165.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 59.6 ttp -143.7 127.68 17.44 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 123.519 0.728 . . . . 0.0 111.122 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' ALA . . . . . . . . . . . . . . . -91.94 172.87 8.17 Favored 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 162.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' ALA . . . . . . . . . . . . . . . -137.98 111.23 7.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 119.786 -1.821 . . . . 0.0 113.453 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' LEU . . . . . . . . . . . . . 47.5 tp -83.56 132.54 34.91 Favored 'General case' 0 CA--C 1.57 1.742 0 O-C-N 121.645 -0.659 . . . . 0.0 110.854 165.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 93.4 t -119.27 113.47 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 167.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' ASP . . . . . . . . . . . . 0.272 1.8 p-10 -80.27 -178.08 1.06 Allowed Pre-proline 0 CA--C 1.591 2.525 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 -174.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -54.39 -30.13 61.89 Favored 'Trans proline' 0 CA--C 1.569 2.259 0 N-CA-C 119.363 2.794 . . . . 0.0 119.363 169.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.71 18.92 3.7 Favored 'General case' 0 CA--C 1.583 2.219 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 172.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 72.39 16.09 77.28 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 119.383 2.513 . . . . 0.0 119.383 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 2.5 m -89.12 114.59 25.87 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 118.971 1.385 . . . . 0.0 109.392 -157.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.49 84.07 6.17 Favored 'General case' 0 CA--C 1.568 1.635 0 O-C-N 121.005 -1.06 . . . . 0.0 112.312 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.25 105.48 13.36 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 122.788 1.28 . . . . 0.0 109.912 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -82.86 106.45 14.7 Favored 'General case' 0 CA--C 1.561 1.375 0 CA-C-O 122.106 0.955 . . . . 0.0 111.088 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 42.5 mt -81.22 93.39 6.49 Favored 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.43 -0.794 . . . . 0.0 109.905 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.24 138.2 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.647 -1.283 . . . . 0.0 110.156 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -74.71 125.18 28.17 Favored 'General case' 0 CA--C 1.569 1.697 0 O-C-N 120.903 -1.123 . . . . 0.0 112.237 160.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.74 150.89 46.45 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 169.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -95.35 70.11 3.14 Favored 'General case' 0 CA--C 1.569 1.704 0 O-C-N 121.34 -0.85 . . . . 0.0 112.914 -159.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -28.94 67.35 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 -169.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.44 -40.85 79.31 Favored 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 165.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' ALA . . . . . . . . . . . . . . . -88.22 -50.35 6.42 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 169.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' GLY . . . . . . . . . . . . . . . -68.88 -27.17 74.11 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 120.302 2.881 . . . . 0.0 120.302 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' ILE . . . . . . . . . . . . . 89.9 mt -98.72 -63.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 CA-C-N 119.336 1.568 . . . . 0.0 109.476 167.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 122.622 1.201 . . . . 0.0 113.492 177.184 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' THR . . . . . 0.88 HG21 ' HB2' ' A' ' 242' ' ' ASP . 91.8 m . . . . . 0 CA--C 1.556 1.189 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.91 ' O ' ' C ' ' A' ' 242' ' ' ASP . 0.1 OUTLIER -60.57 92.42 0.02 OUTLIER 'General case' 0 CA--C 1.574 1.9 0 CA-C-N 118.718 0.69 . . . . 0.0 109.78 158.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . 0.652 ' HA ' ' O ' ' A' ' 242' ' ' ASP . 3.4 pt20 -125.58 120.96 32.26 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.582 0.753 . . . . 0.0 111.279 -164.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . 0.835 ' O ' ' HA ' ' A' ' 206' ' ' THR . . . -85.79 117.66 24.8 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.398 -1.439 . . . . 0.0 111.978 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.593 ' HA ' ' O ' ' A' ' 205' ' ' ALA . 65.9 p -115.01 137.04 22.69 Favored Pre-proline 0 CA--C 1.58 2.114 0 C-N-CA 123.292 0.637 . . . . 0.0 111.634 -177.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.58 138.59 19.5 Favored 'Trans proline' 0 CA--C 1.558 1.72 0 C-N-CA 122.973 2.449 . . . . 0.0 115.501 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -114.71 97.82 6.49 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.575 0.702 . . . . 0.0 109.126 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 78.9 mt -105.1 158.7 31.5 Favored Pre-proline 0 CA--C 1.578 2.026 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -165.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -83.13 133.75 6.66 Favored 'Trans proline' 0 CA--C 1.571 2.348 0 C-N-CA 122.383 2.056 . . . . 0.0 114.644 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.6 t -132.05 133.47 44.41 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.442 0.697 . . . . 0.0 110.511 172.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -76.56 -57.11 4.05 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -106.05 131.82 52.88 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-O 122.813 1.292 . . . . 0.0 109.695 168.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -79.98 -13.38 59.38 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 172.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.47 ' CG ' HH12 ' B' ' 31' ' ' ARG . 24.7 m-20 -80.01 -49.41 11.86 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 121.179 1.809 . . . . 0.0 112.996 162.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 44.6 m -57.9 -52.17 66.59 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -64.57 -38.79 92.23 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 173.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -56.85 16.47 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.502 1.668 . . . . 0.0 115.502 167.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.61 -23.05 15.28 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 118.537 2.791 . . . . 0.0 118.537 169.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -64.1 -59.18 4.77 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 119.858 -1.776 . . . . 0.0 114.866 162.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -79.52 -36.75 38.03 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -34.25 -59.49 0.44 Allowed 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 117.784 2.512 . . . . 0.0 117.784 172.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -55.07 -28.71 54.37 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.04 12.8 0.48 Allowed 'General case' 0 CA--C 1.584 2.263 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 166.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.65 26.79 53.2 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 119.12 2.408 . . . . 0.0 119.12 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -99.25 104.45 16.39 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.02 1.91 . . . . 0.0 110.37 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.34 133.52 21.94 Favored Glycine 0 N--CA 1.488 2.137 0 O-C-N 121.291 -0.881 . . . . 0.0 115.281 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 25.1 mt -81.36 87.3 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -83.99 -32.81 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -132.38 138.53 47.75 Favored 'General case' 0 CA--C 1.567 1.62 0 O-C-N 121.001 -1.062 . . . . 0.0 110.143 168.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . 0.47 HH12 ' CG ' ' B' ' 15' ' ' ASP . 71.0 ttt180 -151.37 126.5 9.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.0 110.746 163.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . 0.288 1.9 p-10 -112.05 -138.92 0.38 Allowed 'General case' 0 CA--C 1.587 2.401 0 CA-C-O 121.665 0.745 . . . . 0.0 110.72 161.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.35 -34.75 17.5 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 157.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.56 -36.15 8.88 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 119.531 2.572 . . . . 0.0 119.531 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -122.55 143.41 49.74 Favored 'General case' 0 CA--C 1.574 1.869 0 CA-C-N 119.678 1.739 . . . . 0.0 113.122 -175.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' MET . . . . . . . . . . . . . 65.2 ttp -144.4 108.46 4.75 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.603 -1.311 . . . . 0.0 112.234 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.47 114.05 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.021 -1.049 . . . . 0.0 109.812 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 64.5 mt -109.61 117.25 33.44 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 123.883 0.873 . . . . 0.0 109.197 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -133.82 113.63 12.48 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-N 120.356 1.434 . . . . 0.0 114.808 -164.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 -98.11 88.0 4.1 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 120.676 -1.265 . . . . 0.0 110.05 168.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.46 -99.45 1.46 Allowed Glycine 0 N--CA 1.497 2.734 0 O-C-N 120.902 -1.124 . . . . 0.0 113.493 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . 0.915 ' CA ' ' O ' ' A' ' 203' ' ' ASP . 2.4 m-20 -118.27 30.64 7.12 Favored 'General case' 0 CA--C 1.588 2.433 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 158.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 205' ' ' ALA . 50.6 mt -77.1 66.4 2.9 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 118.396 -2.69 . . . . 0.0 111.499 164.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 37.1 ttm -86.03 93.55 9.01 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.727 0.775 . . . . 0.0 111.291 -165.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.8 101.72 14.1 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.657 -0.652 . . . . 0.0 109.611 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -98.85 79.86 2.45 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 122.706 1.241 . . . . 0.0 110.84 -168.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -74.14 131.45 41.3 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -166.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.403 ' CE1' ' CE3' ' A' ' 259' ' ' TRP . 40.9 p90 -97.07 145.37 26.04 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 121.622 -0.674 . . . . 0.0 112.414 171.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.58 99.83 2.63 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -115.48 90.71 26.4 Favored Pre-proline 0 CA--C 1.575 1.942 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.719 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.23 -35.45 19.03 Favored 'Trans proline' 0 CA--C 1.571 2.331 0 N-CA-C 117.773 2.182 . . . . 0.0 117.773 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.91 64.99 3.0 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 116.291 1.276 . . . . 0.0 116.291 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.84 131.36 56.97 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 123.607 0.763 . . . . 0.0 110.894 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -88.3 128.48 53.14 Favored Pre-proline 0 CA--C 1.584 2.274 0 O-C-N 121.822 -0.549 . . . . 0.0 112.342 165.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -60.21 -31.32 92.91 Favored 'Trans proline' 0 CA--C 1.569 2.251 0 N-CA-C 119.865 2.987 . . . . 0.0 119.865 162.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.65 -47.78 37.38 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.19 39.6 0.66 Allowed 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 170.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -100.73 101.81 12.76 Favored 'General case' 0 CA--C 1.567 1.621 0 O-C-N 120.142 -1.598 . . . . 0.0 113.493 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -71.44 -8.67 55.34 Favored 'General case' 0 CA--C 1.584 2.28 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 163.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -72.04 133.64 45.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.515 -1.366 . . . . 0.0 112.853 -169.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.8 p -163.8 150.79 12.05 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.888 0.851 . . . . 0.0 113.195 -164.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 19.2 p -148.56 146.28 28.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.334 -0.854 . . . . 0.0 112.278 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' CYS . . . . . 0.698 ' HB2' HD22 ' A' ' 208' ' ' ASN . 7.6 m -83.63 108.8 16.96 Favored 'General case' 0 CA--C 1.562 1.408 0 O-C-N 120.605 -1.309 . . . . 0.0 112.886 173.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.73 100.12 6.12 Favored 'General case' 0 CA--C 1.566 1.585 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -88.8 105.09 17.49 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.708 -0.62 . . . . 0.0 110.559 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 48.4 mt -102.7 142.22 34.22 Favored 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 123.803 0.841 . . . . 0.0 111.48 -164.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . 0.411 93.8 m-20 -75.94 -36.01 59.52 Favored 'General case' 0 CA--C 1.624 3.827 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.201 174.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -113.2 116.01 29.13 Favored 'General case' 0 N--CA 1.528 3.447 0 CA-C-N 124.366 3.257 . . . . 0.0 108.351 147.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.21 -44.58 88.2 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 166.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.84 69.35 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.56 -47.23 87.11 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 122.358 2.344 . . . . 0.0 116.628 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -54.45 -38.72 66.67 Favored 'General case' 0 CA--C 1.58 2.097 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 163.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.22 -38.19 66.15 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 171.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -46.81 -53.88 11.05 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 120.834 1.652 . . . . 0.0 114.744 156.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -63.04 -47.86 81.2 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 80.2 m -53.39 -48.75 68.37 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 171.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.482 ' HZ2' ' CD ' ' B' ' 83' ' ' GLU . 46.1 mtpt -70.9 -27.22 63.64 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 174.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 84.2 p -72.35 -47.77 47.02 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 166.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 15.4 m -79.8 -21.1 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.13 79.12 0.86 Allowed Glycine 0 N--CA 1.488 2.138 0 CA-C-N 119.466 1.03 . . . . 0.0 114.448 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 36.0 mt -141.69 120.59 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 167.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -77.49 134.72 38.26 Favored 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 116.339 1.978 . . . . 0.0 116.339 -166.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.482 ' CD ' ' HZ2' ' B' ' 77' ' ' LYS . 38.0 tt0 -86.82 101.75 13.64 Favored 'General case' 0 CA--C 1.571 1.778 0 C-N-CA 124.027 0.931 . . . . 0.0 110.542 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -150.39 145.55 26.15 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.103 -0.998 . . . . 0.0 112.335 -165.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 98.4 p -66.85 -66.65 0.53 Allowed 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 17.0 t -84.73 160.98 20.19 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.68 165.35 28.22 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 117.0 1.56 . . . . 0.0 117.0 174.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -147.72 138.63 13.17 Favored Pre-proline 0 CA--C 1.582 2.185 0 C-N-CA 124.46 1.104 . . . . 0.0 110.352 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -75.65 154.73 98.99 Favored 'Cis proline' 0 CA--C 1.568 2.19 0 CA-C-N 123.302 2.215 . . . . 0.0 115.582 -2.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -153.58 166.07 33.9 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 22.4 pt -128.26 134.65 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 124.395 1.078 . . . . 0.0 111.455 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -109.91 155.24 21.98 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 124.209 1.003 . . . . 0.0 111.557 164.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.86 166.7 37.48 Favored Pre-proline 0 CA--C 1.58 2.121 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 -157.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.33 84.54 0.16 Allowed 'Trans proline' 0 CA--C 1.573 2.427 0 C-N-CA 123.021 2.481 . . . . 0.0 116.746 172.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -104.63 158.44 16.5 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 122.021 0.915 . . . . 0.0 112.495 -167.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.2 mt -85.5 135.64 33.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.379 -1.451 . . . . 0.0 113.227 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -125.9 158.16 35.84 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 -159.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 1.618 ' HB3' ' CA ' ' B' ' 98' ' ' GLU . . . -78.99 63.68 3.73 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 170.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -154.92 -44.51 0.08 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 124.171 0.988 . . . . 0.0 113.426 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.01 -65.76 0.07 OUTLIER Glycine 0 N--CA 1.486 2.017 0 O-C-N 121.424 -0.798 . . . . 0.0 113.516 -172.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.56 -107.32 2.31 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 115.651 1.02 . . . . 0.0 115.651 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -146.61 145.11 29.96 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 122.0 -0.706 . . . . 0.0 112.883 -165.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 59.5 ttp -143.69 127.62 17.37 Favored 'General case' 0 CA--C 1.565 1.533 0 C-N-CA 123.531 0.733 . . . . 0.0 111.128 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.9 172.84 8.19 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 162.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -137.96 111.28 7.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 119.781 -1.825 . . . . 0.0 113.424 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 47.7 tp -83.71 132.57 34.85 Favored 'General case' 0 CA--C 1.57 1.742 0 O-C-N 121.673 -0.642 . . . . 0.0 110.846 165.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 93.6 t -119.22 113.36 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 167.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . 0.272 1.8 p-10 -80.19 -178.1 1.06 Allowed Pre-proline 0 CA--C 1.59 2.51 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -174.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -54.42 -30.1 62.05 Favored 'Trans proline' 0 CA--C 1.569 2.247 0 N-CA-C 119.336 2.783 . . . . 0.0 119.336 169.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.7 18.93 3.68 Favored 'General case' 0 CA--C 1.583 2.229 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 172.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.42 16.01 77.33 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 119.339 2.496 . . . . 0.0 119.339 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 2.5 m -89.03 114.52 25.73 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 119.014 1.407 . . . . 0.0 109.42 -157.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.49 84.07 6.17 Favored 'General case' 0 CA--C 1.567 1.614 0 O-C-N 120.997 -1.064 . . . . 0.0 112.343 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.17 105.49 13.3 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.771 1.272 . . . . 0.0 109.998 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . 0.41 ' HB2' ' SG ' ' B' ' 63' ' ' CYS . 9.6 mtm180 -82.87 106.4 14.67 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 122.076 0.941 . . . . 0.0 111.094 -175.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 42.2 mt -81.19 93.41 6.47 Favored 'General case' 0 CA--C 1.569 1.68 0 C-N-CA 123.749 0.82 . . . . 0.0 109.884 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 63.4 mt -88.25 138.15 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.669 -1.269 . . . . 0.0 110.209 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -74.67 125.23 28.26 Favored 'General case' 0 CA--C 1.569 1.694 0 O-C-N 120.932 -1.105 . . . . 0.0 112.27 160.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.77 150.85 46.45 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -95.32 70.09 3.15 Favored 'General case' 0 CA--C 1.569 1.679 0 O-C-N 121.335 -0.853 . . . . 0.0 112.91 -159.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -28.88 67.28 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 -169.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.47 -40.84 79.42 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 165.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.27 -50.31 6.43 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 169.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.93 -27.15 74.15 Favored Glycine 0 N--CA 1.495 2.613 0 N-CA-C 120.348 2.899 . . . . 0.0 120.348 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.74 -63.81 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 CA-C-N 119.258 1.529 . . . . 0.0 109.482 167.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 122.608 1.194 . . . . 0.0 113.492 177.172 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' THR . . . . . 0.572 HG22 ' HB2' ' B' ' 42' ' ' ASP . 89.2 m . . . . . 0 CA--C 1.556 1.195 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ASP . . . . . 0.915 ' O ' ' CA ' ' B' ' 42' ' ' ASP . 0.1 OUTLIER -60.62 92.42 0.03 OUTLIER 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 118.746 0.703 . . . . 0.0 109.768 158.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.546 ' HA ' ' HB3' ' B' ' 42' ' ' ASP . 3.4 pt20 -125.6 121.02 32.39 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.549 0.74 . . . . 0.0 111.269 -164.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ALA . . . . . 0.577 ' O ' ' HA ' ' B' ' 6' ' ' THR . . . -85.8 117.7 24.84 Favored 'General case' 0 CA--C 1.56 1.35 0 O-C-N 120.418 -1.426 . . . . 0.0 111.93 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' THR . . . . . 0.82 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 65.6 p -115.06 137.04 22.71 Favored Pre-proline 0 CA--C 1.58 2.105 0 C-N-CA 123.259 0.624 . . . . 0.0 111.631 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 207' ' ' PRO . . . . . 0.585 ' HD3' ' C ' ' B' ' 5' ' ' ALA . 90.8 Cg_endo -76.57 138.49 19.43 Favored 'Trans proline' 0 CA--C 1.558 1.718 0 C-N-CA 122.987 2.458 . . . . 0.0 115.546 -173.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ASN . . . . . 0.722 HD21 ' HB2' ' B' ' 63' ' ' CYS . 6.1 m120 -114.6 97.87 6.54 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.587 0.708 . . . . 0.0 109.127 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 79.0 mt -105.15 158.68 31.57 Favored Pre-proline 0 CA--C 1.577 2.015 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -165.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -83.06 133.73 6.7 Favored 'Trans proline' 0 CA--C 1.572 2.392 0 C-N-CA 122.364 2.043 . . . . 0.0 114.654 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' SER . . . . . . . . . . . . . 16.5 t -132.04 133.47 44.44 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 123.418 0.687 . . . . 0.0 110.506 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -76.62 -57.04 4.08 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -106.11 131.81 52.93 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-O 122.817 1.294 . . . . 0.0 109.68 168.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -79.96 -13.35 59.41 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 117.528 2.418 . . . . 0.0 117.528 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' ASP . . . . . 0.417 ' CG ' HH12 ' A' ' 231' ' ' ARG . 24.6 m-20 -80.01 -49.35 11.94 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-N 121.102 1.774 . . . . 0.0 113.001 162.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 44.6 m -57.96 -52.15 66.69 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 27.5 m -64.63 -38.67 91.79 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 173.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.86 16.28 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 167.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' ALA . . . . . . . . . . . . . . . -54.63 -23.02 15.29 Favored 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 118.523 2.786 . . . . 0.0 118.523 169.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.17 -59.16 4.76 Favored 'General case' 0 CA--C 1.576 1.947 0 O-C-N 119.843 -1.786 . . . . 0.0 114.835 162.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -79.52 -36.67 38.13 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 116.855 2.169 . . . . 0.0 116.855 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -34.21 -59.55 0.43 Allowed 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 172.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -55.02 -28.79 54.84 Favored 'General case' 0 CA--C 1.579 2.081 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' LEU . . . . . . . . . . . . . 66.7 mt -72.94 12.75 0.48 Allowed 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 166.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 80.7 26.78 53.09 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 119.085 2.394 . . . . 0.0 119.085 -172.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -99.31 104.46 16.36 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 120.085 1.942 . . . . 0.0 110.379 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -71.32 133.5 21.96 Favored Glycine 0 N--CA 1.488 2.124 0 O-C-N 121.266 -0.896 . . . . 0.0 115.271 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 25.1 mt -81.39 87.39 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' VAL . . . . . . . . . . . . . 28.4 m -84.04 -32.8 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -132.39 138.53 47.73 Favored 'General case' 0 CA--C 1.567 1.612 0 O-C-N 121.07 -1.019 . . . . 0.0 110.123 168.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ARG . . . . . 0.417 HH12 ' CG ' ' A' ' 215' ' ' ASP . 71.0 ttt180 -151.35 126.52 9.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.157 -0.964 . . . . 0.0 110.728 163.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' ASP . . . . . . . . . . . . 0.286 1.9 p-10 -112.14 -138.95 0.38 Allowed 'General case' 0 CA--C 1.588 2.415 0 CA-C-O 121.623 0.725 . . . . 0.0 110.715 161.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 233' ' ' ALA . . . . . . . . . . . . . . . -88.26 -34.83 17.59 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 157.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . -87.58 -36.1 8.9 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 119.534 2.573 . . . . 0.0 119.534 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 235' ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -122.55 143.29 49.82 Favored 'General case' 0 CA--C 1.573 1.859 0 CA-C-N 119.654 1.727 . . . . 0.0 113.137 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 236' ' ' MET . . . . . . . . . . . . . 65.2 ttp -144.26 108.47 4.79 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.56 -1.337 . . . . 0.0 112.25 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 237' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.51 114.07 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.006 -1.059 . . . . 0.0 109.804 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 238' ' ' LEU . . . . . . . . . . . . . 64.6 mt -109.64 117.2 33.31 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 123.87 0.868 . . . . 0.0 109.196 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -133.79 113.65 12.52 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 120.352 1.433 . . . . 0.0 114.829 -164.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 -98.12 88.07 4.11 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.715 -1.24 . . . . 0.0 110.062 168.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . 77.36 -99.45 1.45 Allowed Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.901 -1.124 . . . . 0.0 113.562 -170.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 242' ' ' ASP . . . . . 0.91 ' C ' ' O ' ' B' ' 3' ' ' ASP . 2.4 m-20 -118.22 30.59 7.15 Favored 'General case' 0 CA--C 1.588 2.418 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 158.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 243' ' ' LEU . . . . . . . . . . . . . 50.7 mt -77.05 66.32 2.84 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 118.362 -2.711 . . . . 0.0 111.568 164.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 244' ' ' MET . . . . . . . . . . . . . 37.2 ttm -86.01 93.53 8.99 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 121.754 0.788 . . . . 0.0 111.337 -165.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.77 101.72 14.11 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.698 -0.626 . . . . 0.0 109.581 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -98.9 79.93 2.44 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 122.716 1.246 . . . . 0.0 110.817 -168.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 247' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -74.15 131.46 41.3 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 -166.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 248' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -97.15 145.35 26.1 Favored 'General case' 0 CA--C 1.566 1.579 0 O-C-N 121.659 -0.651 . . . . 0.0 112.406 171.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' ALA . . . . . . . . . . . . . . . -72.5 99.8 2.58 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 250' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -115.48 90.65 26.18 Favored Pre-proline 0 CA--C 1.576 1.969 0 C-N-CA 123.63 0.772 . . . . 0.0 109.752 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.23 -35.41 19.16 Favored 'Trans proline' 0 CA--C 1.57 2.302 0 N-CA-C 117.8 2.192 . . . . 0.0 117.8 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . -89.97 65.02 2.97 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 116.302 1.281 . . . . 0.0 116.302 172.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 253' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.82 131.39 56.96 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.556 0.742 . . . . 0.0 110.898 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -88.34 128.49 53.04 Favored Pre-proline 0 CA--C 1.584 2.276 0 O-C-N 121.782 -0.574 . . . . 0.0 112.286 165.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 255' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -60.19 -31.32 92.95 Favored 'Trans proline' 0 CA--C 1.569 2.226 0 N-CA-C 119.845 2.979 . . . . 0.0 119.845 162.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 256' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.7 -47.76 37.08 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -83.18 39.55 0.66 Allowed 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 170.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 23.2 t -100.62 101.8 12.79 Favored 'General case' 0 CA--C 1.567 1.619 0 O-C-N 120.217 -1.552 . . . . 0.0 113.535 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 259' ' ' TRP . . . . . 0.41 ' CE3' ' HE1' ' B' ' 48' ' ' PHE . 93.7 m95 -71.42 -8.72 55.62 Favored 'General case' 0 CA--C 1.585 2.298 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 163.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 260' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -72.09 133.67 45.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.519 -1.363 . . . . 0.0 112.85 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 261' ' ' SER . . . . . . . . . . . . . 16.5 p -163.85 150.8 11.97 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.91 0.862 . . . . 0.0 113.189 -164.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 262' ' ' CYS . . . . . . . . . . . . . 19.2 p -148.56 146.31 28.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.376 -0.828 . . . . 0.0 112.275 168.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 7.5 m -83.65 108.88 17.02 Favored 'General case' 0 CA--C 1.562 1.424 0 O-C-N 120.668 -1.27 . . . . 0.0 112.859 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 264' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.77 100.12 6.15 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 166.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 265' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 -88.81 105.14 17.53 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.625 -0.672 . . . . 0.0 110.582 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 48.1 mt -102.7 142.23 34.19 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 123.847 0.859 . . . . 0.0 111.447 -164.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 267' ' ' ASP . . . . . . . . . . . . 0.411 93.6 m-20 -75.98 -36.04 59.39 Favored 'General case' 0 CA--C 1.624 3.798 0 CA-C-O 116.821 -1.561 . . . . 0.0 113.19 174.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 268' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -113.17 116.1 29.29 Favored 'General case' 0 N--CA 1.527 3.424 0 CA-C-N 124.428 3.285 . . . . 0.0 108.362 147.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.3 -44.55 88.58 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 166.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 270' ' ' ALA . . . . . . . . . . . . . . . -64.21 -27.78 69.3 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 271' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.58 -47.2 87.22 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 122.349 2.341 . . . . 0.0 116.631 171.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 272' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -54.49 -38.67 66.74 Favored 'General case' 0 CA--C 1.58 2.105 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 163.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 273' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.24 -38.25 66.07 Favored 'General case' 0 CA--C 1.58 2.12 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 274' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -46.8 -53.83 11.12 Favored 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 120.882 1.674 . . . . 0.0 114.79 156.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 275' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -63.06 -47.92 80.88 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 276' ' ' CYS . . . . . . . . . . . . . 80.4 m -53.3 -48.8 68.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 171.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -70.94 -27.17 63.56 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 174.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 84.2 p -72.37 -47.81 46.56 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 166.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 279' ' ' VAL . . . . . . . . . . . . . 15.3 m -79.76 -21.07 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 280' ' ' GLY . . . . . . . . . . . . . . . 114.12 79.12 0.86 Allowed Glycine 0 N--CA 1.488 2.129 0 CA-C-N 119.466 1.03 . . . . 0.0 114.434 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 281' ' ' ILE . . . . . . . . . . . . . 35.8 mt -141.68 120.56 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 167.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 282' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -77.39 134.64 38.38 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -166.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 283' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -86.8 101.77 13.65 Favored 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 124.07 0.948 . . . . 0.0 110.533 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 284' ' ' THR . . . . . . . . . . . . . 9.7 t -150.44 145.49 26.07 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.13 -0.982 . . . . 0.0 112.337 -165.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 285' ' ' SER . . . . . . . . . . . . . 97.9 p -66.79 -66.71 0.52 Allowed 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 16.9 t -84.76 161.02 20.15 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 170.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 287' ' ' GLY . . . . . . . . . . . . . . . 100.65 165.34 28.26 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 117.021 1.568 . . . . 0.0 117.021 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 288' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -147.67 138.69 13.22 Favored Pre-proline 0 CA--C 1.582 2.192 0 C-N-CA 124.416 1.087 . . . . 0.0 110.346 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 289' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.6 154.71 99.03 Favored 'Cis proline' 0 CA--C 1.568 2.21 0 CA-C-N 123.303 2.215 . . . . 0.0 115.562 -2.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 290' ' ' ARG . . . . . . . . . . . . . 11.1 ptt-85 -153.53 166.13 33.71 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 22.5 pt -128.36 134.7 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 C-N-CA 124.368 1.067 . . . . 0.0 111.386 171.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -109.89 155.2 22.01 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 124.245 1.018 . . . . 0.0 111.598 164.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 293' ' ' ALA . . . . . . . . . . . . . . . -80.8 166.67 37.75 Favored Pre-proline 0 CA--C 1.58 2.119 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -157.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 294' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.35 84.55 0.16 Allowed 'Trans proline' 0 CA--C 1.573 2.435 0 C-N-CA 123.004 2.469 . . . . 0.0 116.715 172.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 295' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -104.59 158.46 16.48 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 122.017 0.913 . . . . 0.0 112.496 -167.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 296' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.54 135.59 33.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.367 -1.458 . . . . 0.0 113.246 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 297' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -125.84 158.2 35.64 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -159.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . . . -79.07 63.74 3.81 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 170.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 299' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -154.9 -44.47 0.08 Allowed 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 124.238 1.015 . . . . 0.0 113.465 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . -179.02 -65.85 0.07 OUTLIER Glycine 0 N--CA 1.486 2.022 0 O-C-N 121.387 -0.821 . . . . 0.0 113.447 -172.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 301' ' ' GLY . . . . . . . . . . . . . . . -118.49 -107.32 2.32 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 302' ' ' THR . . . . . . . . . . . . . 8.8 t -146.6 145.12 29.97 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.995 -0.709 . . . . 0.0 112.89 -165.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 59.6 ttp -143.7 127.68 17.44 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 123.519 0.728 . . . . 0.0 111.122 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 304' ' ' ALA . . . . . . . . . . . . . . . -91.94 172.87 8.17 Favored 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 162.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 305' ' ' ALA . . . . . . . . . . . . . . . -137.98 111.23 7.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 119.786 -1.821 . . . . 0.0 113.453 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' LEU . . . . . . . . . . . . . 47.5 tp -83.56 132.54 34.91 Favored 'General case' 0 CA--C 1.57 1.742 0 O-C-N 121.645 -0.659 . . . . 0.0 110.854 165.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 93.4 t -119.27 113.47 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 167.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' ASP . . . . . . . . . . . . 0.272 1.8 p-10 -80.27 -178.08 1.06 Allowed Pre-proline 0 CA--C 1.591 2.525 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 -174.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -54.39 -30.13 61.89 Favored 'Trans proline' 0 CA--C 1.569 2.259 0 N-CA-C 119.363 2.794 . . . . 0.0 119.363 169.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 310' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.71 18.92 3.7 Favored 'General case' 0 CA--C 1.583 2.219 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 172.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 72.39 16.09 77.28 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 119.383 2.513 . . . . 0.0 119.383 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 2.5 m -89.12 114.59 25.87 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 118.971 1.385 . . . . 0.0 109.392 -157.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.49 84.07 6.17 Favored 'General case' 0 CA--C 1.568 1.635 0 O-C-N 121.005 -1.06 . . . . 0.0 112.312 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.25 105.48 13.36 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 122.788 1.28 . . . . 0.0 109.912 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -82.86 106.45 14.7 Favored 'General case' 0 CA--C 1.561 1.375 0 CA-C-O 122.106 0.955 . . . . 0.0 111.088 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 42.5 mt -81.22 93.39 6.49 Favored 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.43 -0.794 . . . . 0.0 109.905 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.24 138.2 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.647 -1.283 . . . . 0.0 110.156 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -74.71 125.18 28.17 Favored 'General case' 0 CA--C 1.569 1.697 0 O-C-N 120.903 -1.123 . . . . 0.0 112.237 160.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.74 150.89 46.45 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 169.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 320' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -95.35 70.11 3.14 Favored 'General case' 0 CA--C 1.569 1.704 0 O-C-N 121.34 -0.85 . . . . 0.0 112.914 -159.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -28.94 67.35 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 -169.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.44 -40.85 79.31 Favored 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 165.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' ALA . . . . . . . . . . . . . . . -88.22 -50.35 6.42 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 169.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 324' ' ' GLY . . . . . . . . . . . . . . . -68.88 -27.17 74.11 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 120.302 2.881 . . . . 0.0 120.302 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' ILE . . . . . . . . . . . . . 89.9 mt -98.72 -63.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 CA-C-N 119.336 1.568 . . . . 0.0 109.476 167.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 122.622 1.201 . . . . 0.0 113.492 177.184 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' THR . . . . . 0.757 HG22 ' HB2' ' A' ' 242' ' ' ASP . 91.8 m . . . . . 0 CA--C 1.556 1.189 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.91 ' O ' ' C ' ' A' ' 242' ' ' ASP . 0.1 OUTLIER -60.57 92.42 0.02 OUTLIER 'General case' 0 CA--C 1.574 1.9 0 CA-C-N 118.718 0.69 . . . . 0.0 109.78 158.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . 0.661 ' HA ' ' O ' ' A' ' 242' ' ' ASP . 3.4 pt20 -125.58 120.96 32.26 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.582 0.753 . . . . 0.0 111.279 -164.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.82 ' O ' ' HA ' ' A' ' 206' ' ' THR . . . -85.79 117.66 24.8 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.398 -1.439 . . . . 0.0 111.978 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.577 ' HA ' ' O ' ' A' ' 205' ' ' ALA . 65.9 p -115.01 137.04 22.69 Favored Pre-proline 0 CA--C 1.58 2.114 0 C-N-CA 123.292 0.637 . . . . 0.0 111.634 -177.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.58 138.59 19.5 Favored 'Trans proline' 0 CA--C 1.558 1.72 0 C-N-CA 122.973 2.449 . . . . 0.0 115.501 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -114.71 97.82 6.49 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.575 0.702 . . . . 0.0 109.126 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 78.9 mt -105.1 158.7 31.5 Favored Pre-proline 0 CA--C 1.578 2.026 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -165.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -83.13 133.75 6.66 Favored 'Trans proline' 0 CA--C 1.571 2.348 0 C-N-CA 122.383 2.056 . . . . 0.0 114.644 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.6 t -132.05 133.47 44.41 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.442 0.697 . . . . 0.0 110.511 172.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -76.56 -57.11 4.05 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -106.05 131.82 52.88 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-O 122.813 1.292 . . . . 0.0 109.695 168.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -79.98 -13.38 59.38 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 172.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.43 ' CG ' HH12 ' B' ' 31' ' ' ARG . 24.7 m-20 -80.01 -49.41 11.86 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 121.179 1.809 . . . . 0.0 112.996 162.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 44.6 m -57.9 -52.17 66.59 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -64.57 -38.79 92.23 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 173.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -56.85 16.47 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.502 1.668 . . . . 0.0 115.502 167.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.61 -23.05 15.28 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 118.537 2.791 . . . . 0.0 118.537 169.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -64.1 -59.18 4.77 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 119.858 -1.776 . . . . 0.0 114.866 162.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -79.52 -36.75 38.03 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -34.25 -59.49 0.44 Allowed 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 117.784 2.512 . . . . 0.0 117.784 172.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -55.07 -28.71 54.37 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.04 12.8 0.48 Allowed 'General case' 0 CA--C 1.584 2.263 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 166.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.65 26.79 53.2 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 119.12 2.408 . . . . 0.0 119.12 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -99.25 104.45 16.39 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.02 1.91 . . . . 0.0 110.37 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.34 133.52 21.94 Favored Glycine 0 N--CA 1.488 2.137 0 O-C-N 121.291 -0.881 . . . . 0.0 115.281 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 25.1 mt -81.36 87.3 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -83.99 -32.81 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -132.38 138.53 47.75 Favored 'General case' 0 CA--C 1.567 1.62 0 O-C-N 121.001 -1.062 . . . . 0.0 110.143 168.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . 0.43 HH12 ' CG ' ' B' ' 15' ' ' ASP . 71.0 ttt180 -151.37 126.5 9.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.0 110.746 163.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . 0.288 1.9 p-10 -112.05 -138.92 0.38 Allowed 'General case' 0 CA--C 1.587 2.401 0 CA-C-O 121.665 0.745 . . . . 0.0 110.72 161.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.35 -34.75 17.5 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 157.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.56 -36.15 8.88 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 119.531 2.572 . . . . 0.0 119.531 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -122.55 143.41 49.74 Favored 'General case' 0 CA--C 1.574 1.869 0 CA-C-N 119.678 1.739 . . . . 0.0 113.122 -175.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' MET . . . . . . . . . . . . . 65.2 ttp -144.4 108.46 4.75 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.603 -1.311 . . . . 0.0 112.234 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.47 114.05 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.021 -1.049 . . . . 0.0 109.812 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 64.5 mt -109.61 117.25 33.44 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 123.883 0.873 . . . . 0.0 109.197 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -133.82 113.63 12.48 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-N 120.356 1.434 . . . . 0.0 114.808 -164.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 -98.11 88.0 4.1 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 120.676 -1.265 . . . . 0.0 110.05 168.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.46 -99.45 1.46 Allowed Glycine 0 N--CA 1.497 2.734 0 O-C-N 120.902 -1.124 . . . . 0.0 113.493 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.915 ' CA ' ' O ' ' A' ' 203' ' ' ASP . 2.4 m-20 -118.27 30.64 7.12 Favored 'General case' 0 CA--C 1.588 2.433 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 158.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.6 mt -77.1 66.4 2.9 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 118.396 -2.69 . . . . 0.0 111.499 164.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 37.1 ttm -86.03 93.55 9.01 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.727 0.775 . . . . 0.0 111.291 -165.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.8 101.72 14.1 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.657 -0.652 . . . . 0.0 109.611 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -98.85 79.86 2.45 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 122.706 1.241 . . . . 0.0 110.84 -168.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -74.14 131.45 41.3 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -166.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.41 ' HE1' ' CE3' ' A' ' 259' ' ' TRP . 40.9 p90 -97.07 145.37 26.04 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 121.622 -0.674 . . . . 0.0 112.414 171.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.58 99.83 2.63 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -115.48 90.71 26.4 Favored Pre-proline 0 CA--C 1.575 1.942 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.719 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.23 -35.45 19.03 Favored 'Trans proline' 0 CA--C 1.571 2.331 0 N-CA-C 117.773 2.182 . . . . 0.0 117.773 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.91 64.99 3.0 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 116.291 1.276 . . . . 0.0 116.291 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.84 131.36 56.97 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 123.607 0.763 . . . . 0.0 110.894 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -88.3 128.48 53.14 Favored Pre-proline 0 CA--C 1.584 2.274 0 O-C-N 121.822 -0.549 . . . . 0.0 112.342 165.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -60.21 -31.32 92.91 Favored 'Trans proline' 0 CA--C 1.569 2.251 0 N-CA-C 119.865 2.987 . . . . 0.0 119.865 162.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.65 -47.78 37.38 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.19 39.6 0.66 Allowed 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 170.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -100.73 101.81 12.76 Favored 'General case' 0 CA--C 1.567 1.621 0 O-C-N 120.142 -1.598 . . . . 0.0 113.493 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -71.44 -8.67 55.34 Favored 'General case' 0 CA--C 1.584 2.28 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 163.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -72.04 133.64 45.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.515 -1.366 . . . . 0.0 112.853 -169.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.8 p -163.8 150.79 12.05 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.888 0.851 . . . . 0.0 113.195 -164.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 19.2 p -148.56 146.28 28.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.334 -0.854 . . . . 0.0 112.278 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' CYS . . . . . 0.722 ' HB2' HD21 ' A' ' 208' ' ' ASN . 7.6 m -83.63 108.8 16.96 Favored 'General case' 0 CA--C 1.562 1.408 0 O-C-N 120.605 -1.309 . . . . 0.0 112.886 173.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.73 100.12 6.12 Favored 'General case' 0 CA--C 1.566 1.585 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -88.8 105.09 17.49 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.708 -0.62 . . . . 0.0 110.559 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 48.4 mt -102.7 142.22 34.22 Favored 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 123.803 0.841 . . . . 0.0 111.48 -164.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . 0.411 93.8 m-20 -75.94 -36.01 59.52 Favored 'General case' 0 CA--C 1.624 3.827 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.201 174.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -113.2 116.01 29.13 Favored 'General case' 0 N--CA 1.528 3.447 0 CA-C-N 124.366 3.257 . . . . 0.0 108.351 147.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.21 -44.58 88.2 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 166.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.84 69.35 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.56 -47.23 87.11 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 122.358 2.344 . . . . 0.0 116.628 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -54.45 -38.72 66.67 Favored 'General case' 0 CA--C 1.58 2.097 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 163.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.22 -38.19 66.15 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 171.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -46.81 -53.88 11.05 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 120.834 1.652 . . . . 0.0 114.744 156.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -63.04 -47.86 81.2 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 80.2 m -53.39 -48.75 68.37 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 171.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -70.9 -27.22 63.64 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 174.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 84.2 p -72.35 -47.77 47.02 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 166.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 15.4 m -79.8 -21.1 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.13 79.12 0.86 Allowed Glycine 0 N--CA 1.488 2.138 0 CA-C-N 119.466 1.03 . . . . 0.0 114.448 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 36.0 mt -141.69 120.59 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 167.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -77.49 134.72 38.26 Favored 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 116.339 1.978 . . . . 0.0 116.339 -166.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.82 101.75 13.64 Favored 'General case' 0 CA--C 1.571 1.778 0 C-N-CA 124.027 0.931 . . . . 0.0 110.542 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -150.39 145.55 26.15 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.103 -0.998 . . . . 0.0 112.335 -165.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 98.4 p -66.85 -66.65 0.53 Allowed 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 17.0 t -84.73 160.98 20.19 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.68 165.35 28.22 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 117.0 1.56 . . . . 0.0 117.0 174.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -147.72 138.63 13.17 Favored Pre-proline 0 CA--C 1.582 2.185 0 C-N-CA 124.46 1.104 . . . . 0.0 110.352 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -75.65 154.73 98.99 Favored 'Cis proline' 0 CA--C 1.568 2.19 0 CA-C-N 123.302 2.215 . . . . 0.0 115.582 -2.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -153.58 166.07 33.9 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 22.4 pt -128.26 134.65 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 124.395 1.078 . . . . 0.0 111.455 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -109.91 155.24 21.98 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 124.209 1.003 . . . . 0.0 111.557 164.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.86 166.7 37.48 Favored Pre-proline 0 CA--C 1.58 2.121 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 -157.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.33 84.54 0.16 Allowed 'Trans proline' 0 CA--C 1.573 2.427 0 C-N-CA 123.021 2.481 . . . . 0.0 116.746 172.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -104.63 158.44 16.5 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 122.021 0.915 . . . . 0.0 112.495 -167.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.2 mt -85.5 135.64 33.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.379 -1.451 . . . . 0.0 113.227 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -125.9 158.16 35.84 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 -159.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . . . -78.99 63.68 3.73 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 170.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -154.92 -44.51 0.08 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 124.171 0.988 . . . . 0.0 113.426 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.01 -65.76 0.07 OUTLIER Glycine 0 N--CA 1.486 2.017 0 O-C-N 121.424 -0.798 . . . . 0.0 113.516 -172.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.56 -107.32 2.31 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 115.651 1.02 . . . . 0.0 115.651 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -146.61 145.11 29.96 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 122.0 -0.706 . . . . 0.0 112.883 -165.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 59.5 ttp -143.69 127.62 17.37 Favored 'General case' 0 CA--C 1.565 1.533 0 C-N-CA 123.531 0.733 . . . . 0.0 111.128 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.9 172.84 8.19 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 162.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -137.96 111.28 7.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 119.781 -1.825 . . . . 0.0 113.424 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 47.7 tp -83.71 132.57 34.85 Favored 'General case' 0 CA--C 1.57 1.742 0 O-C-N 121.673 -0.642 . . . . 0.0 110.846 165.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 93.6 t -119.22 113.36 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 167.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . 0.272 1.8 p-10 -80.19 -178.1 1.06 Allowed Pre-proline 0 CA--C 1.59 2.51 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -174.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -54.42 -30.1 62.05 Favored 'Trans proline' 0 CA--C 1.569 2.247 0 N-CA-C 119.336 2.783 . . . . 0.0 119.336 169.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.7 18.93 3.68 Favored 'General case' 0 CA--C 1.583 2.229 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 172.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.42 16.01 77.33 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 119.339 2.496 . . . . 0.0 119.339 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 2.5 m -89.03 114.52 25.73 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 119.014 1.407 . . . . 0.0 109.42 -157.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.49 84.07 6.17 Favored 'General case' 0 CA--C 1.567 1.614 0 O-C-N 120.997 -1.064 . . . . 0.0 112.343 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.17 105.49 13.3 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.771 1.272 . . . . 0.0 109.998 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -82.87 106.4 14.67 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 122.076 0.941 . . . . 0.0 111.094 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 42.2 mt -81.19 93.41 6.47 Favored 'General case' 0 CA--C 1.569 1.68 0 C-N-CA 123.749 0.82 . . . . 0.0 109.884 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 63.4 mt -88.25 138.15 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.669 -1.269 . . . . 0.0 110.209 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -74.67 125.23 28.26 Favored 'General case' 0 CA--C 1.569 1.694 0 O-C-N 120.932 -1.105 . . . . 0.0 112.27 160.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.77 150.85 46.45 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -95.32 70.09 3.15 Favored 'General case' 0 CA--C 1.569 1.679 0 O-C-N 121.335 -0.853 . . . . 0.0 112.91 -159.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -28.88 67.28 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 -169.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.47 -40.84 79.42 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 165.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.27 -50.31 6.43 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 169.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.93 -27.15 74.15 Favored Glycine 0 N--CA 1.495 2.613 0 N-CA-C 120.348 2.899 . . . . 0.0 120.348 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.74 -63.81 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 CA-C-N 119.258 1.529 . . . . 0.0 109.482 167.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 122.608 1.194 . . . . 0.0 113.492 177.172 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' THR . . . . . 0.572 HG22 ' HB2' ' B' ' 42' ' ' ASP . 89.2 m . . . . . 0 CA--C 1.556 1.195 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ASP . . . . . 0.915 ' O ' ' CA ' ' B' ' 42' ' ' ASP . 0.1 OUTLIER -60.62 92.42 0.03 OUTLIER 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 118.746 0.703 . . . . 0.0 109.768 158.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.546 ' HA ' ' HB3' ' B' ' 42' ' ' ASP . 3.4 pt20 -125.6 121.02 32.39 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 123.549 0.74 . . . . 0.0 111.269 -164.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ALA . . . . . 0.577 ' O ' ' HA ' ' B' ' 6' ' ' THR . . . -85.8 117.7 24.84 Favored 'General case' 0 CA--C 1.56 1.35 0 O-C-N 120.418 -1.426 . . . . 0.0 111.93 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' THR . . . . . 0.82 ' HA ' ' O ' ' B' ' 5' ' ' ALA . 65.6 p -115.06 137.04 22.71 Favored Pre-proline 0 CA--C 1.58 2.105 0 C-N-CA 123.259 0.624 . . . . 0.0 111.631 -177.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . 0.585 ' HD3' ' C ' ' B' ' 5' ' ' ALA . 90.8 Cg_endo -76.57 138.49 19.43 Favored 'Trans proline' 0 CA--C 1.558 1.718 0 C-N-CA 122.987 2.458 . . . . 0.0 115.546 -173.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ASN . . . . . 0.722 HD21 ' HB2' ' B' ' 63' ' ' CYS . 6.1 m120 -114.6 97.87 6.54 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.587 0.708 . . . . 0.0 109.127 179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 79.0 mt -105.15 158.68 31.57 Favored Pre-proline 0 CA--C 1.577 2.015 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -165.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -83.06 133.73 6.7 Favored 'Trans proline' 0 CA--C 1.572 2.392 0 C-N-CA 122.364 2.043 . . . . 0.0 114.654 177.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' SER . . . . . . . . . . . . . 16.5 t -132.04 133.47 44.44 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 123.418 0.687 . . . . 0.0 110.506 172.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -76.62 -57.04 4.08 Favored 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -106.11 131.81 52.93 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-O 122.817 1.294 . . . . 0.0 109.68 168.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -79.96 -13.35 59.41 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 117.528 2.418 . . . . 0.0 117.528 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . 0.417 ' CG ' HH12 ' A' ' 231' ' ' ARG . 24.6 m-20 -80.01 -49.35 11.94 Favored 'General case' 0 CA--C 1.574 1.892 0 CA-C-N 121.102 1.774 . . . . 0.0 113.001 162.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' SER . . . . . . . . . . . . . 44.6 m -57.96 -52.15 66.69 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' THR . . . . . . . . . . . . . 27.5 m -64.63 -38.67 91.79 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 173.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' ALA . . . . . . . . . . . . . . . -57.22 -56.86 16.28 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 167.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' ALA . . . . . . . . . . . . . . . -54.63 -23.02 15.29 Favored 'General case' 0 CA--C 1.577 2.018 0 N-CA-C 118.523 2.786 . . . . 0.0 118.523 169.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -64.17 -59.16 4.76 Favored 'General case' 0 CA--C 1.576 1.947 0 O-C-N 119.843 -1.786 . . . . 0.0 114.835 162.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -79.52 -36.67 38.13 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 116.855 2.169 . . . . 0.0 116.855 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -34.21 -59.55 0.43 Allowed 'General case' 0 N--CA 1.506 2.331 0 N-CA-C 117.774 2.509 . . . . 0.0 117.774 172.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -55.02 -28.79 54.84 Favored 'General case' 0 CA--C 1.579 2.081 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' LEU . . . . . . . . . . . . . 66.7 mt -72.94 12.75 0.48 Allowed 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 166.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 80.7 26.78 53.09 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 119.085 2.394 . . . . 0.0 119.085 -172.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -99.31 104.46 16.36 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-N 120.085 1.942 . . . . 0.0 110.379 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -71.32 133.5 21.96 Favored Glycine 0 N--CA 1.488 2.124 0 O-C-N 121.266 -0.896 . . . . 0.0 115.271 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' ILE . . . . . . . . . . . . . 25.1 mt -81.39 87.39 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' VAL . . . . . . . . . . . . . 28.4 m -84.04 -32.8 8.67 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.241 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -176.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -132.39 138.53 47.73 Favored 'General case' 0 CA--C 1.567 1.612 0 O-C-N 121.07 -1.019 . . . . 0.0 110.123 168.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ARG . . . . . 0.417 HH12 ' CG ' ' A' ' 215' ' ' ASP . 71.0 ttt180 -151.35 126.52 9.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.157 -0.964 . . . . 0.0 110.728 163.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' ASP . . . . . . . . . . . . 0.286 1.9 p-10 -112.14 -138.95 0.38 Allowed 'General case' 0 CA--C 1.588 2.415 0 CA-C-O 121.623 0.725 . . . . 0.0 110.715 161.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' ALA . . . . . . . . . . . . . . . -88.26 -34.83 17.59 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 115.993 1.849 . . . . 0.0 115.993 157.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' GLY . . . . . . . . . . . . . . . -87.58 -36.1 8.9 Favored Glycine 0 N--CA 1.49 2.281 0 N-CA-C 119.534 2.573 . . . . 0.0 119.534 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' TRP . . . . . . . . . . . . . 23.2 t-105 -122.55 143.29 49.82 Favored 'General case' 0 CA--C 1.573 1.859 0 CA-C-N 119.654 1.727 . . . . 0.0 113.137 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' MET . . . . . . . . . . . . . 65.2 ttp -144.26 108.47 4.79 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.56 -1.337 . . . . 0.0 112.25 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.51 114.07 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 121.006 -1.059 . . . . 0.0 109.804 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' LEU . . . . . . . . . . . . . 64.6 mt -109.64 117.2 33.31 Favored 'General case' 0 CA--C 1.57 1.723 0 C-N-CA 123.87 0.868 . . . . 0.0 109.196 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -133.79 113.65 12.52 Favored 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 120.352 1.433 . . . . 0.0 114.829 -164.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 -98.12 88.07 4.11 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 120.715 -1.24 . . . . 0.0 110.062 168.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' GLY . . . . . . . . . . . . . . . 77.36 -99.45 1.45 Allowed Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.901 -1.124 . . . . 0.0 113.562 -170.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' ASP . . . . . 0.91 ' C ' ' O ' ' B' ' 3' ' ' ASP . 2.4 m-20 -118.22 30.59 7.15 Favored 'General case' 0 CA--C 1.588 2.418 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 158.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' LEU . . . . . . . . . . . . . 50.7 mt -77.05 66.32 2.84 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 118.362 -2.711 . . . . 0.0 111.568 164.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' MET . . . . . . . . . . . . . 37.2 ttm -86.01 93.53 8.99 Favored 'General case' 0 CA--C 1.565 1.528 0 CA-C-O 121.754 0.788 . . . . 0.0 111.337 -165.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' LEU . . . . . . . . . . . . . 96.5 mt -92.77 101.72 14.11 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.698 -0.626 . . . . 0.0 109.581 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -98.9 79.93 2.44 Favored 'General case' 0 CA--C 1.564 1.487 0 CA-C-O 122.716 1.246 . . . . 0.0 110.817 -168.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -74.15 131.46 41.3 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 -166.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -97.15 145.35 26.1 Favored 'General case' 0 CA--C 1.566 1.579 0 O-C-N 121.659 -0.651 . . . . 0.0 112.406 171.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' ALA . . . . . . . . . . . . . . . -72.5 99.8 2.58 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -115.48 90.65 26.18 Favored Pre-proline 0 CA--C 1.576 1.969 0 C-N-CA 123.63 0.772 . . . . 0.0 109.752 179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.23 -35.41 19.16 Favored 'Trans proline' 0 CA--C 1.57 2.302 0 N-CA-C 117.8 2.192 . . . . 0.0 117.8 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' GLY . . . . . . . . . . . . . . . -89.97 65.02 2.97 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 116.302 1.281 . . . . 0.0 116.302 172.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.82 131.39 56.96 Favored 'General case' 0 N--CA 1.492 1.631 0 C-N-CA 123.556 0.742 . . . . 0.0 110.898 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -88.34 128.49 53.04 Favored Pre-proline 0 CA--C 1.584 2.276 0 O-C-N 121.782 -0.574 . . . . 0.0 112.286 165.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -60.19 -31.32 92.95 Favored 'Trans proline' 0 CA--C 1.569 2.226 0 N-CA-C 119.845 2.979 . . . . 0.0 119.845 162.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' LEU . . . . . . . . . . . . . 77.7 mt -73.7 -47.76 37.08 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' ALA . . . . . . . . . . . . . . . -83.18 39.55 0.66 Allowed 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 170.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' SER . . . . . . . . . . . . . 23.2 t -100.62 101.8 12.79 Favored 'General case' 0 CA--C 1.567 1.619 0 O-C-N 120.217 -1.552 . . . . 0.0 113.535 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' TRP . . . . . 0.41 ' CE3' ' HE1' ' B' ' 48' ' ' PHE . 93.7 m95 -71.42 -8.72 55.62 Favored 'General case' 0 CA--C 1.585 2.298 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 163.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -72.09 133.67 45.35 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.519 -1.363 . . . . 0.0 112.85 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' SER . . . . . . . . . . . . . 16.5 p -163.85 150.8 11.97 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 121.91 0.862 . . . . 0.0 113.189 -164.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' CYS . . . . . . . . . . . . . 19.2 p -148.56 146.31 28.23 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.376 -0.828 . . . . 0.0 112.275 168.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' CYS . . . . . . . . . . . . . 7.5 m -83.65 108.88 17.02 Favored 'General case' 0 CA--C 1.562 1.424 0 O-C-N 120.668 -1.27 . . . . 0.0 112.859 173.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 264' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.77 100.12 6.15 Favored 'General case' 0 CA--C 1.565 1.553 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 166.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 265' ' ' ARG . . . . . . . . . . . . . 46.9 mtt-85 -88.81 105.14 17.53 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.625 -0.672 . . . . 0.0 110.582 -177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 266' ' ' LEU . . . . . . . . . . . . . 48.1 mt -102.7 142.23 34.19 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 123.847 0.859 . . . . 0.0 111.447 -164.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 267' ' ' ASP . . . . . . . . . . . . 0.411 93.6 m-20 -75.98 -36.04 59.39 Favored 'General case' 0 CA--C 1.624 3.798 0 CA-C-O 116.821 -1.561 . . . . 0.0 113.19 174.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 268' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -113.17 116.1 29.29 Favored 'General case' 0 N--CA 1.527 3.424 0 CA-C-N 124.428 3.285 . . . . 0.0 108.362 147.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 269' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.3 -44.55 88.58 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 166.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 270' ' ' ALA . . . . . . . . . . . . . . . -64.21 -27.78 69.3 Favored 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 116.788 2.144 . . . . 0.0 116.788 173.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 271' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.58 -47.2 87.22 Favored 'General case' 0 N--CA 1.501 2.082 0 CA-C-N 122.349 2.341 . . . . 0.0 116.631 171.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 272' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -54.49 -38.67 66.74 Favored 'General case' 0 CA--C 1.58 2.105 0 N-CA-C 115.964 1.839 . . . . 0.0 115.964 163.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 273' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.24 -38.25 66.07 Favored 'General case' 0 CA--C 1.58 2.12 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 274' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -46.8 -53.83 11.12 Favored 'General case' 0 N--CA 1.503 2.222 0 CA-C-N 120.882 1.674 . . . . 0.0 114.79 156.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 275' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -63.06 -47.92 80.88 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 276' ' ' CYS . . . . . . . . . . . . . 80.4 m -53.3 -48.8 68.08 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 171.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 277' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -70.94 -27.17 63.56 Favored 'General case' 0 N--CA 1.498 1.972 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 174.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 278' ' ' SER . . . . . . . . . . . . . 84.2 p -72.37 -47.81 46.56 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 166.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 279' ' ' VAL . . . . . . . . . . . . . 15.3 m -79.76 -21.07 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.294 0 N-CA-C 117.21 2.3 . . . . 0.0 117.21 -177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 280' ' ' GLY . . . . . . . . . . . . . . . 114.12 79.12 0.86 Allowed Glycine 0 N--CA 1.488 2.129 0 CA-C-N 119.466 1.03 . . . . 0.0 114.434 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 281' ' ' ILE . . . . . . . . . . . . . 35.8 mt -141.68 120.56 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 167.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -77.39 134.64 38.38 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -166.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 283' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -86.8 101.77 13.65 Favored 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 124.07 0.948 . . . . 0.0 110.533 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 284' ' ' THR . . . . . . . . . . . . . 9.7 t -150.44 145.49 26.07 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.13 -0.982 . . . . 0.0 112.337 -165.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 285' ' ' SER . . . . . . . . . . . . . 97.9 p -66.79 -66.71 0.52 Allowed 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 286' ' ' SER . . . . . . . . . . . . . 16.9 t -84.76 161.02 20.15 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 170.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 287' ' ' GLY . . . . . . . . . . . . . . . 100.65 165.34 28.26 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 117.021 1.568 . . . . 0.0 117.021 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 288' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -147.67 138.69 13.22 Favored Pre-proline 0 CA--C 1.582 2.192 0 C-N-CA 124.416 1.087 . . . . 0.0 110.346 176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 289' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.6 154.71 99.03 Favored 'Cis proline' 0 CA--C 1.568 2.21 0 CA-C-N 123.303 2.215 . . . . 0.0 115.562 -2.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 290' ' ' ARG . . . . . . . . . . . . . 11.1 ptt-85 -153.53 166.13 33.71 Favored 'General case' 0 CA--C 1.571 1.78 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' ILE . . . . . . . . . . . . . 22.5 pt -128.36 134.7 64.29 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 C-N-CA 124.368 1.067 . . . . 0.0 111.386 171.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 292' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -109.89 155.2 22.01 Favored 'General case' 0 N--CA 1.498 1.926 0 C-N-CA 124.245 1.018 . . . . 0.0 111.598 164.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 293' ' ' ALA . . . . . . . . . . . . . . . -80.8 166.67 37.75 Favored Pre-proline 0 CA--C 1.58 2.119 0 N-CA-C 118.162 2.653 . . . . 0.0 118.162 -157.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 294' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -64.35 84.55 0.16 Allowed 'Trans proline' 0 CA--C 1.573 2.435 0 C-N-CA 123.004 2.469 . . . . 0.0 116.715 172.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 295' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -104.59 158.46 16.48 Favored 'General case' 0 CA--C 1.572 1.79 0 CA-C-O 122.017 0.913 . . . . 0.0 112.496 -167.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 296' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.54 135.59 33.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.367 -1.458 . . . . 0.0 113.246 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 297' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -125.84 158.2 35.64 Favored 'General case' 0 N--CA 1.497 1.879 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -159.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 298' ' ' GLU . . . . . . . . . . . . . . . -79.07 63.74 3.81 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 117.331 2.345 . . . . 0.0 117.331 170.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 299' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -154.9 -44.47 0.08 Allowed 'General case' 0 N--CA 1.498 1.944 0 C-N-CA 124.238 1.015 . . . . 0.0 113.465 173.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' GLY . . . . . . . . . . . . . . . -179.02 -65.85 0.07 OUTLIER Glycine 0 N--CA 1.486 2.022 0 O-C-N 121.387 -0.821 . . . . 0.0 113.447 -172.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' GLY . . . . . . . . . . . . . . . -118.49 -107.32 2.32 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' THR . . . . . . . . . . . . . 8.8 t -146.6 145.12 29.97 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.995 -0.709 . . . . 0.0 112.89 -165.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' MET . . . . . . . . . . . . . 59.6 ttp -143.7 127.68 17.44 Favored 'General case' 0 CA--C 1.566 1.58 0 C-N-CA 123.519 0.728 . . . . 0.0 111.122 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' ALA . . . . . . . . . . . . . . . -91.94 172.87 8.17 Favored 'General case' 0 CA--C 1.571 1.786 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 162.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' ALA . . . . . . . . . . . . . . . -137.98 111.23 7.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 119.786 -1.821 . . . . 0.0 113.453 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' LEU . . . . . . . . . . . . . 47.5 tp -83.56 132.54 34.91 Favored 'General case' 0 CA--C 1.57 1.742 0 O-C-N 121.645 -0.659 . . . . 0.0 110.854 165.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' VAL . . . . . . . . . . . . . 93.4 t -119.27 113.47 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 167.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' ASP . . . . . . . . . . . . 0.272 1.8 p-10 -80.27 -178.08 1.06 Allowed Pre-proline 0 CA--C 1.591 2.525 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 -174.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -54.39 -30.13 61.89 Favored 'Trans proline' 0 CA--C 1.569 2.259 0 N-CA-C 119.363 2.794 . . . . 0.0 119.363 169.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.71 18.92 3.7 Favored 'General case' 0 CA--C 1.583 2.219 0 N-CA-C 115.678 1.732 . . . . 0.0 115.678 172.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' GLY . . . . . . . . . . . . . . . 72.39 16.09 77.28 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 119.383 2.513 . . . . 0.0 119.383 -177.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' THR . . . . . . . . . . . . . 2.5 m -89.12 114.59 25.87 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 118.971 1.385 . . . . 0.0 109.392 -157.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' LEU . . . . . . . . . . . . . 59.7 tp -80.49 84.07 6.17 Favored 'General case' 0 CA--C 1.568 1.635 0 O-C-N 121.005 -1.06 . . . . 0.0 112.312 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.25 105.48 13.36 Favored 'General case' 0 CA--C 1.564 1.515 0 CA-C-O 122.788 1.28 . . . . 0.0 109.912 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -82.86 106.45 14.7 Favored 'General case' 0 CA--C 1.561 1.375 0 CA-C-O 122.106 0.955 . . . . 0.0 111.088 -175.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' LEU . . . . . . . . . . . . . 42.5 mt -81.22 93.39 6.49 Favored 'General case' 0 CA--C 1.568 1.647 0 O-C-N 121.43 -0.794 . . . . 0.0 109.905 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.24 138.2 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.042 0 O-C-N 120.647 -1.283 . . . . 0.0 110.156 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -74.71 125.18 28.17 Favored 'General case' 0 CA--C 1.569 1.697 0 O-C-N 120.903 -1.123 . . . . 0.0 112.237 160.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.74 150.89 46.45 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 169.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -95.35 70.11 3.14 Favored 'General case' 0 CA--C 1.569 1.704 0 O-C-N 121.34 -0.85 . . . . 0.0 112.914 -159.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -28.94 67.35 Favored 'General case' 0 N--CA 1.503 2.223 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 -169.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' LEU . . . . . . . . . . . . . 92.7 mt -57.44 -40.85 79.31 Favored 'General case' 0 CA--C 1.577 2.001 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 165.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' ALA . . . . . . . . . . . . . . . -88.22 -50.35 6.42 Favored 'General case' 0 CA--C 1.571 1.756 0 N-CA-C 115.288 1.588 . . . . 0.0 115.288 169.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' GLY . . . . . . . . . . . . . . . -68.88 -27.17 74.11 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 120.302 2.881 . . . . 0.0 120.302 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' ILE . . . . . . . . . . . . . 89.9 mt -98.72 -63.84 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.106 0 CA-C-N 119.336 1.568 . . . . 0.0 109.476 167.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 122.622 1.201 . . . . 0.0 113.492 177.184 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' THR . . . . . 0.757 HG22 ' HB2' ' A' ' 242' ' ' ASP . 91.8 m . . . . . 0 CA--C 1.556 1.189 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.91 ' O ' ' C ' ' A' ' 242' ' ' ASP . 0.1 OUTLIER -60.57 92.42 0.02 OUTLIER 'General case' 0 CA--C 1.574 1.9 0 CA-C-N 118.718 0.69 . . . . 0.0 109.78 158.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.661 ' HA ' ' O ' ' A' ' 242' ' ' ASP . 3.4 pt20 -125.58 120.96 32.26 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 123.582 0.753 . . . . 0.0 111.279 -164.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.82 ' O ' ' HA ' ' A' ' 206' ' ' THR . . . -85.79 117.66 24.8 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.398 -1.439 . . . . 0.0 111.978 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.577 ' HA ' ' O ' ' A' ' 205' ' ' ALA . 65.9 p -115.01 137.04 22.69 Favored Pre-proline 0 CA--C 1.58 2.114 0 C-N-CA 123.292 0.637 . . . . 0.0 111.634 -177.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -76.58 138.59 19.5 Favored 'Trans proline' 0 CA--C 1.558 1.72 0 C-N-CA 122.973 2.449 . . . . 0.0 115.501 -173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -114.71 97.82 6.49 Favored 'General case' 0 N--CA 1.488 1.443 0 CA-C-O 121.575 0.702 . . . . 0.0 109.126 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 78.9 mt -105.1 158.7 31.5 Favored Pre-proline 0 CA--C 1.578 2.026 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -165.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -83.13 133.75 6.66 Favored 'Trans proline' 0 CA--C 1.571 2.348 0 C-N-CA 122.383 2.056 . . . . 0.0 114.644 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.6 t -132.05 133.47 44.41 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 123.442 0.697 . . . . 0.0 110.511 172.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -76.56 -57.11 4.05 Favored 'General case' 0 N--CA 1.498 1.949 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 176.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -106.05 131.82 52.88 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-O 122.813 1.292 . . . . 0.0 109.695 168.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -79.98 -13.38 59.38 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 117.479 2.4 . . . . 0.0 117.479 172.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.43 ' CG ' HH12 ' B' ' 31' ' ' ARG . 24.7 m-20 -80.01 -49.41 11.86 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 121.179 1.809 . . . . 0.0 112.996 162.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 44.6 m -57.9 -52.17 66.59 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.4 m -64.57 -38.79 92.23 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 173.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.23 -56.85 16.47 Favored 'General case' 0 CA--C 1.566 1.573 0 N-CA-C 115.502 1.668 . . . . 0.0 115.502 167.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.61 -23.05 15.28 Favored 'General case' 0 CA--C 1.577 2.009 0 N-CA-C 118.537 2.791 . . . . 0.0 118.537 169.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -64.1 -59.18 4.77 Favored 'General case' 0 CA--C 1.575 1.911 0 O-C-N 119.858 -1.776 . . . . 0.0 114.866 162.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -79.52 -36.75 38.03 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 116.814 2.153 . . . . 0.0 116.814 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -34.25 -59.49 0.44 Allowed 'General case' 0 N--CA 1.506 2.338 0 N-CA-C 117.784 2.512 . . . . 0.0 117.784 172.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -55.07 -28.71 54.37 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 67.3 mt -73.04 12.8 0.48 Allowed 'General case' 0 CA--C 1.584 2.263 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 166.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.65 26.79 53.2 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 119.12 2.408 . . . . 0.0 119.12 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -99.25 104.45 16.39 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.02 1.91 . . . . 0.0 110.37 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.34 133.52 21.94 Favored Glycine 0 N--CA 1.488 2.137 0 O-C-N 121.291 -0.881 . . . . 0.0 115.281 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 25.1 mt -81.36 87.3 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -83.99 -32.81 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.265 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -132.38 138.53 47.75 Favored 'General case' 0 CA--C 1.567 1.62 0 O-C-N 121.001 -1.062 . . . . 0.0 110.143 168.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . 0.43 HH12 ' CG ' ' B' ' 15' ' ' ASP . 71.0 ttt180 -151.37 126.5 9.86 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.0 110.746 163.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . 0.288 1.9 p-10 -112.05 -138.92 0.38 Allowed 'General case' 0 CA--C 1.587 2.401 0 CA-C-O 121.665 0.745 . . . . 0.0 110.72 161.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.35 -34.75 17.5 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 157.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.56 -36.15 8.88 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 119.531 2.572 . . . . 0.0 119.531 178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -122.55 143.41 49.74 Favored 'General case' 0 CA--C 1.574 1.869 0 CA-C-N 119.678 1.739 . . . . 0.0 113.122 -175.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' MET . . . . . . . . . . . . . 65.2 ttp -144.4 108.46 4.75 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.603 -1.311 . . . . 0.0 112.234 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 62.4 mt -94.47 114.05 30.28 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 O-C-N 121.021 -1.049 . . . . 0.0 109.812 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 64.5 mt -109.61 117.25 33.44 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 123.883 0.873 . . . . 0.0 109.197 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -133.82 113.63 12.48 Favored 'General case' 0 N--CA 1.502 2.17 0 CA-C-N 120.356 1.434 . . . . 0.0 114.808 -164.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 30.2 ttt-85 -98.11 88.0 4.1 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 120.676 -1.265 . . . . 0.0 110.05 168.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.46 -99.45 1.46 Allowed Glycine 0 N--CA 1.497 2.734 0 O-C-N 120.902 -1.124 . . . . 0.0 113.493 -170.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.915 ' CA ' ' O ' ' A' ' 203' ' ' ASP . 2.4 m-20 -118.27 30.64 7.12 Favored 'General case' 0 CA--C 1.588 2.433 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 158.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.6 mt -77.1 66.4 2.9 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 118.396 -2.69 . . . . 0.0 111.499 164.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' MET . . . . . . . . . . . . . 37.1 ttm -86.03 93.55 9.01 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.727 0.775 . . . . 0.0 111.291 -165.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.8 101.72 14.1 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.657 -0.652 . . . . 0.0 109.611 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -98.85 79.86 2.45 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 122.706 1.241 . . . . 0.0 110.84 -168.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -74.14 131.45 41.3 Favored 'General case' 0 CA--C 1.563 1.479 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -166.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.41 ' HE1' ' CE3' ' A' ' 259' ' ' TRP . 40.9 p90 -97.07 145.37 26.04 Favored 'General case' 0 CA--C 1.566 1.56 0 O-C-N 121.622 -0.674 . . . . 0.0 112.414 171.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.58 99.83 2.63 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 -177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -115.48 90.71 26.4 Favored Pre-proline 0 CA--C 1.575 1.942 0 CA-C-O 118.487 -0.768 . . . . 0.0 109.719 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.23 -35.45 19.03 Favored 'Trans proline' 0 CA--C 1.571 2.331 0 N-CA-C 117.773 2.182 . . . . 0.0 117.773 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -89.91 64.99 3.0 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 116.291 1.276 . . . . 0.0 116.291 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.84 131.36 56.97 Favored 'General case' 0 CA--C 1.568 1.646 0 C-N-CA 123.607 0.763 . . . . 0.0 110.894 175.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -88.3 128.48 53.14 Favored Pre-proline 0 CA--C 1.584 2.274 0 O-C-N 121.822 -0.549 . . . . 0.0 112.342 165.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -60.21 -31.32 92.91 Favored 'Trans proline' 0 CA--C 1.569 2.251 0 N-CA-C 119.865 2.987 . . . . 0.0 119.865 162.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 77.6 mt -73.65 -47.78 37.38 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.19 39.6 0.66 Allowed 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 170.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -100.73 101.81 12.76 Favored 'General case' 0 CA--C 1.567 1.621 0 O-C-N 120.142 -1.598 . . . . 0.0 113.493 -170.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -71.44 -8.67 55.34 Favored 'General case' 0 CA--C 1.584 2.28 0 N-CA-C 117.142 2.275 . . . . 0.0 117.142 163.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -72.04 133.64 45.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.515 -1.366 . . . . 0.0 112.853 -169.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.8 p -163.8 150.79 12.05 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.888 0.851 . . . . 0.0 113.195 -164.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 19.2 p -148.56 146.28 28.22 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.334 -0.854 . . . . 0.0 112.278 168.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' CYS . . . . . 0.722 ' HB2' HD21 ' A' ' 208' ' ' ASN . 7.6 m -83.63 108.8 16.96 Favored 'General case' 0 CA--C 1.562 1.408 0 O-C-N 120.605 -1.309 . . . . 0.0 112.886 173.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 82.7 mt -77.73 100.12 6.12 Favored 'General case' 0 CA--C 1.566 1.585 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 166.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 47.0 mtt-85 -88.8 105.09 17.49 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.708 -0.62 . . . . 0.0 110.559 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 48.4 mt -102.7 142.22 34.22 Favored 'General case' 0 CA--C 1.565 1.548 0 C-N-CA 123.803 0.841 . . . . 0.0 111.48 -164.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . 0.411 93.8 m-20 -75.94 -36.01 59.52 Favored 'General case' 0 CA--C 1.624 3.827 0 CA-C-O 116.83 -1.557 . . . . 0.0 113.201 174.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -113.2 116.01 29.13 Favored 'General case' 0 N--CA 1.528 3.447 0 CA-C-N 124.366 3.257 . . . . 0.0 108.351 147.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.21 -44.58 88.2 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 166.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.84 69.35 Favored 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.56 -47.23 87.11 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-N 122.358 2.344 . . . . 0.0 116.628 171.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -54.45 -38.72 66.67 Favored 'General case' 0 CA--C 1.58 2.097 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 163.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -73.22 -38.19 66.15 Favored 'General case' 0 CA--C 1.581 2.166 0 N-CA-C 116.972 2.212 . . . . 0.0 116.972 171.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -46.81 -53.88 11.05 Favored 'General case' 0 N--CA 1.503 2.208 0 CA-C-N 120.834 1.652 . . . . 0.0 114.744 156.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -63.04 -47.86 81.2 Favored 'General case' 0 CA--C 1.573 1.828 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' CYS . . . . . . . . . . . . . 80.2 m -53.39 -48.75 68.37 Favored 'General case' 0 N--CA 1.496 1.868 0 N-CA-C 117.876 2.547 . . . . 0.0 117.876 171.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -70.9 -27.22 63.64 Favored 'General case' 0 N--CA 1.499 1.997 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 174.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' SER . . . . . . . . . . . . . 84.2 p -72.35 -47.77 47.02 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 166.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 15.4 m -79.8 -21.1 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.13 79.12 0.86 Allowed Glycine 0 N--CA 1.488 2.138 0 CA-C-N 119.466 1.03 . . . . 0.0 114.448 175.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 36.0 mt -141.69 120.59 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 167.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -77.49 134.72 38.26 Favored 'General case' 0 CA--C 1.573 1.85 0 N-CA-C 116.339 1.978 . . . . 0.0 116.339 -166.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -86.82 101.75 13.64 Favored 'General case' 0 CA--C 1.571 1.778 0 C-N-CA 124.027 0.931 . . . . 0.0 110.542 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 9.7 t -150.39 145.55 26.15 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.103 -0.998 . . . . 0.0 112.335 -165.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 98.4 p -66.85 -66.65 0.53 Allowed 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 169.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' SER . . . . . . . . . . . . . 17.0 t -84.73 160.98 20.19 Favored 'General case' 0 CA--C 1.571 1.769 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.68 165.35 28.22 Favored Glycine 0 N--CA 1.493 2.484 0 N-CA-C 117.0 1.56 . . . . 0.0 117.0 174.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -147.72 138.63 13.17 Favored Pre-proline 0 CA--C 1.582 2.185 0 C-N-CA 124.46 1.104 . . . . 0.0 110.352 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -75.65 154.73 98.99 Favored 'Cis proline' 0 CA--C 1.568 2.19 0 CA-C-N 123.302 2.215 . . . . 0.0 115.582 -2.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ARG . . . . . . . . . . . . . 11.2 ptt-85 -153.58 166.07 33.9 Favored 'General case' 0 CA--C 1.571 1.782 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -175.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 22.4 pt -128.26 134.65 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 C-N-CA 124.395 1.078 . . . . 0.0 111.455 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -109.91 155.24 21.98 Favored 'General case' 0 N--CA 1.498 1.931 0 C-N-CA 124.209 1.003 . . . . 0.0 111.557 164.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ALA . . . . . . . . . . . . . . . -80.86 166.7 37.48 Favored Pre-proline 0 CA--C 1.58 2.121 0 N-CA-C 118.133 2.642 . . . . 0.0 118.133 -157.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.33 84.54 0.16 Allowed 'Trans proline' 0 CA--C 1.573 2.427 0 C-N-CA 123.021 2.481 . . . . 0.0 116.746 172.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -104.63 158.44 16.5 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 122.021 0.915 . . . . 0.0 112.495 -167.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.2 mt -85.5 135.64 33.75 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.379 -1.451 . . . . 0.0 113.227 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -125.9 158.16 35.84 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 115.327 1.602 . . . . 0.0 115.327 -159.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . . . -78.99 63.68 3.73 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 170.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -154.92 -44.51 0.08 Allowed 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 124.171 0.988 . . . . 0.0 113.426 173.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.01 -65.76 0.07 OUTLIER Glycine 0 N--CA 1.486 2.017 0 O-C-N 121.424 -0.798 . . . . 0.0 113.516 -172.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -118.56 -107.32 2.31 Favored Glycine 0 N--CA 1.49 2.295 0 N-CA-C 115.651 1.02 . . . . 0.0 115.651 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -146.61 145.11 29.96 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 122.0 -0.706 . . . . 0.0 112.883 -165.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' MET . . . . . . . . . . . . . 59.5 ttp -143.69 127.62 17.37 Favored 'General case' 0 CA--C 1.565 1.533 0 C-N-CA 123.531 0.733 . . . . 0.0 111.128 -178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -91.9 172.84 8.19 Favored 'General case' 0 CA--C 1.571 1.766 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 162.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -137.96 111.28 7.97 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 119.781 -1.825 . . . . 0.0 113.424 -177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 47.7 tp -83.71 132.57 34.85 Favored 'General case' 0 CA--C 1.57 1.742 0 O-C-N 121.673 -0.642 . . . . 0.0 110.846 165.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 93.6 t -119.22 113.36 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.044 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 167.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ASP . . . . . . . . . . . . 0.272 1.8 p-10 -80.19 -178.1 1.06 Allowed Pre-proline 0 CA--C 1.59 2.51 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -174.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -54.42 -30.1 62.05 Favored 'Trans proline' 0 CA--C 1.569 2.247 0 N-CA-C 119.336 2.783 . . . . 0.0 119.336 169.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.7 18.93 3.68 Favored 'General case' 0 CA--C 1.583 2.229 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 172.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.42 16.01 77.33 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 119.339 2.496 . . . . 0.0 119.339 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 2.5 m -89.03 114.52 25.73 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 119.014 1.407 . . . . 0.0 109.42 -157.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 59.5 tp -80.49 84.07 6.17 Favored 'General case' 0 CA--C 1.567 1.614 0 O-C-N 120.997 -1.064 . . . . 0.0 112.343 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 6.7 mp -82.17 105.49 13.3 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 122.771 1.272 . . . . 0.0 109.998 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 9.6 mtm180 -82.87 106.4 14.67 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 122.076 0.941 . . . . 0.0 111.094 -175.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LEU . . . . . . . . . . . . . 42.2 mt -81.19 93.41 6.47 Favored 'General case' 0 CA--C 1.569 1.68 0 C-N-CA 123.749 0.82 . . . . 0.0 109.884 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 63.4 mt -88.25 138.15 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.669 -1.269 . . . . 0.0 110.209 -177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -74.67 125.23 28.26 Favored 'General case' 0 CA--C 1.569 1.694 0 O-C-N 120.932 -1.105 . . . . 0.0 112.27 160.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -69.77 150.85 46.45 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 169.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 34.4 mp0 -95.32 70.09 3.15 Favored 'General case' 0 CA--C 1.569 1.679 0 O-C-N 121.335 -0.853 . . . . 0.0 112.91 -159.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.38 -28.88 67.28 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 118.068 2.618 . . . . 0.0 118.068 -169.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 92.6 mt -57.47 -40.84 79.42 Favored 'General case' 0 CA--C 1.577 1.983 0 N-CA-C 116.707 2.114 . . . . 0.0 116.707 165.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.27 -50.31 6.43 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 169.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.93 -27.15 74.15 Favored Glycine 0 N--CA 1.495 2.613 0 N-CA-C 120.348 2.899 . . . . 0.0 120.348 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.74 -63.81 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 CA-C-N 119.258 1.529 . . . . 0.0 109.482 167.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 122.608 1.194 . . . . 0.0 113.492 177.172 . . . . . . . . 0 0 . 1 stop_ save_