data_2n8r_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 2n8r _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 9.95 1.65 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.975 2.213 . . . . 0.0 116.975 -158.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.36 146.21 38.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.182 2.193 . . . . 0.0 111.343 -176.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.2 mmt -52.49 138.56 39.91 Favored Pre-proline 0 N--CA 1.477 0.913 0 O-C-N 120.885 -1.135 . . . . 0.0 111.131 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.31 128.39 17.33 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.124 2.55 . . . . 0.0 110.345 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.64 -62.17 0.66 Allowed Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.998 1.285 . . . . 0.0 111.937 -159.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.69 100.42 2.19 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.61 1.576 . . . . 0.0 114.829 163.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -81.16 140.77 12.56 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.25 2.633 . . . . 0.0 109.952 163.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.73 166.95 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.683 1.593 . . . . 0.0 109.904 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -81.7 131.8 35.27 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.33 0.586 . . . . 0.0 110.877 167.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -97.18 27.35 4.17 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.614 1.966 . . . . 0.0 112.333 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -155.82 153.38 29.68 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 130.082 3.353 . . . . 0.0 108.392 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -91.93 -31.16 15.75 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.409 1.084 . . . . 0.0 113.187 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.48 98.27 10.0 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 123.84 0.856 . . . . 0.0 111.318 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.7 mm -103.61 149.28 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.889 1.675 . . . . 0.0 109.915 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.0 p -119.75 151.08 39.35 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.971 1.308 . . . . 0.0 112.037 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -134.17 153.93 51.54 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.774 0.83 . . . . 0.0 112.618 171.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -135.46 134.98 40.14 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.789 0.835 . . . . 0.0 109.629 171.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 93.8 mt -85.9 110.91 20.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 170.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -65.5 -44.86 85.71 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.985 0.914 . . . . 0.0 111.553 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -154.11 160.3 41.88 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 127.687 2.395 . . . . 0.0 107.837 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -106.02 152.87 22.81 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.489 0.716 . . . . 0.0 110.709 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.2 t -82.16 136.54 46.65 Favored Pre-proline 0 N--CA 1.471 0.585 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.357 173.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -73.88 -8.57 21.45 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.735 2.957 . . . . 0.0 113.388 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -67.24 -30.7 70.68 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.15 0.98 . . . . 0.0 112.531 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 98.8 mtp -119.42 163.09 17.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.224 1.81 . . . . 0.0 112.591 -169.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -67.32 144.75 55.69 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.454 -0.779 . . . . 0.0 110.298 163.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -56.89 -43.52 81.38 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.118 -0.989 . . . . 0.0 112.202 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.95 -18.47 64.09 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -86.27 -35.22 20.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.1 0.96 . . . . 0.0 111.83 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.51 -44.73 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 118.88 0.764 . . . . 0.0 109.785 168.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -50.08 71.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.798 0.839 . . . . 0.0 112.011 174.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -71.69 -33.79 69.11 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.92 74.83 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.341 0.656 . . . . 0.0 111.33 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 29.8 mm -69.1 -39.84 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.028 0.531 . . . . 0.0 111.437 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -60.47 -47.49 85.9 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.183 -0.948 . . . . 0.0 111.668 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -68.21 -32.26 72.34 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 118.106 -0.949 . . . . 0.0 112.65 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.25 85.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.919 0.888 . . . . 0.0 112.322 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -66.16 -39.67 89.96 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.424 -0.797 . . . . 0.0 112.097 169.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.15 -36.98 81.25 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.541 1.064 . . . . 0.0 113.502 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 4.3 t -52.16 -39.73 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.543 0.737 . . . . 0.0 111.304 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -88.35 -31.32 18.96 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 94.7 p -75.16 -19.66 59.75 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 120.382 1.447 . . . . 0.0 112.869 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -58.63 -25.54 62.81 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.1 m -122.15 4.93 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.409 1.483 . . . . 0.0 114.603 -166.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 31.3 p -143.91 170.02 9.22 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-N 119.867 1.212 . . . . 0.0 112.507 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -62.92 -7.19 10.85 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.42 2.746 . . . . 0.0 116.239 169.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 63.6 mt -71.01 145.05 50.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.671 1.123 . . . . 0.0 112.62 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -121.86 134.55 54.88 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.537 1.935 . . . . 0.0 108.232 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -121.44 125.11 46.1 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.649 0.78 . . . . 0.0 111.702 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.1 128.27 41.52 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -175.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -75.76 135.91 40.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.731 0.813 . . . . 0.0 110.674 172.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 25.8 pt -129.45 155.13 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.599 1.559 . . . . 0.0 110.901 172.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -117.06 -8.72 11.18 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -166.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.5 t -148.59 158.63 44.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.199 1.4 . . . . 0.0 110.271 170.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.91 -172.37 54.27 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.98 1.276 . . . . 0.0 114.466 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 56.0 ttm -80.41 136.22 36.31 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.289 1.435 . . . . 0.0 111.07 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -110.23 165.3 11.87 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.365 1.066 . . . . 0.0 111.145 171.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.4 -50.71 58.4 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.285 -0.885 . . . . 0.0 109.774 169.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 96.9 mt -113.18 113.44 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.106 1.362 . . . . 0.0 110.181 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 14.0 tp -88.75 129.92 35.45 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.584 -0.698 . . . . 0.0 110.489 168.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 41.0 t -98.61 123.43 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.227 1.411 . . . . 0.0 108.168 169.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 27.8 t -132.48 136.64 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.254 1.022 . . . . 0.0 110.761 -170.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -105.98 130.88 53.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.422 0.556 . . . . 0.0 110.167 165.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.46 165.09 35.25 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.777 1.231 . . . . 0.0 111.113 -174.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -137.4 156.86 47.7 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.846 -1.159 . . . . 0.0 111.656 170.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 54.72 -142.73 33.57 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-O 122.243 0.913 . . . . 0.0 112.856 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -69.92 125.85 27.95 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.71 -0.876 . . . . 0.0 111.345 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -139.27 31.1 2.15 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.045 1.738 . . . . 0.0 113.747 -170.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.93 11.06 60.68 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 117.897 1.919 . . . . 0.0 117.897 165.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -140.89 169.65 17.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.234 1.517 . . . . 0.0 111.825 163.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -69.28 29.23 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -130.86 42.82 3.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.07 2.548 . . . . 0.0 110.41 -172.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -56.41 137.12 53.4 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.442 0.697 . . . . 0.0 112.287 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -83.27 178.08 8.23 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.834 1.254 . . . . 0.0 110.72 173.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -157.51 31.53 0.28 Allowed 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -142.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 73.62 -173.53 49.45 Favored Glycine 0 N--CA 1.472 1.054 0 O-C-N 120.764 -1.21 . . . . 0.0 113.136 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -57.74 140.14 52.18 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.483 1.142 . . . . 0.0 112.071 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 65.81 -165.02 38.19 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 -173.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 52.75 -135.66 38.17 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 -166.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 4.1 mm -59.75 128.16 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 119.058 1.429 . . . . 0.0 111.269 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 7.5 mt -107.49 -22.04 12.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.552 0.741 . . . . 0.0 112.464 172.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -162.15 170.84 18.4 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.584 1.154 . . . . 0.0 113.024 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -151.05 141.83 22.8 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.75 1.62 . . . . 0.0 111.121 161.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -95.69 -176.52 3.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.36 1.064 . . . . 0.0 113.179 168.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -135.58 146.57 48.1 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.409 1.884 . . . . 0.0 110.088 159.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -65.13 160.95 42.02 Favored Glycine 0 CA--C 1.541 1.664 0 CA-C-O 119.369 -0.684 . . . . 0.0 113.783 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.72 142.08 14.82 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.073 3.182 . . . . 0.0 114.422 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 145.93 174.69 18.33 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.598 1.094 . . . . 0.0 112.106 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 68.4 p -70.7 162.0 29.81 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -176.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 56.39 -120.04 17.88 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.952 0.786 . . . . 0.0 112.971 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 1.8 pp -61.7 -17.21 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -56.65 141.99 41.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 121.19 -0.944 . . . . 0.0 112.062 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . 77.08 -10.23 21.36 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.799 1.666 . . . . 0.0 115.979 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -83.53 139.45 32.88 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 121.134 2.467 . . . . 0.0 112.834 -164.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ALA . . . . . . . . . . . . . . . -114.04 107.32 15.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.3 1.84 . . . . 0.0 109.998 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -102.04 133.39 46.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.517 1.527 . . . . 0.0 109.457 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -122.81 144.54 49.12 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.094 1.758 . . . . 0.0 110.279 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -84.78 127.95 34.37 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.255 1.026 . . . . 0.0 111.888 -175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -86.03 -20.14 29.27 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.843 1.257 . . . . 0.0 113.107 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.25 -25.5 67.86 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.402 1.001 . . . . 0.0 112.263 169.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -74.12 155.75 38.11 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.022 0.929 . . . . 0.0 111.576 172.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -106.31 97.6 7.38 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.31 0.644 . . . . 0.0 111.411 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -73.17 141.93 47.4 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.713 1.205 . . . . 0.0 112.74 -175.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 64.9 p -143.5 156.85 44.74 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 123.451 1.596 . . . . 0.0 113.295 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' THR . . . . . . . . . . . . . 29.5 p -76.26 -18.43 59.0 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.928 1.691 . . . . 0.0 113.478 165.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -127.15 -173.83 3.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.714 1.206 . . . . 0.0 112.624 -153.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' SER . . . . . . . . . . . . . 36.2 p -71.7 -33.79 69.07 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -174.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -71.26 162.05 54.18 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.001 0.81 . . . . 0.0 113.28 169.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' GLY . . . . . . . . . . . . . . . 70.28 -120.4 9.32 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.263 0.935 . . . . 0.0 114.391 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.5 m -142.66 101.14 3.81 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.402 1.481 . . . . 0.0 108.617 -170.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -79.62 99.03 7.16 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.749 -1.22 . . . . 0.0 112.555 -165.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 59.8 tp -55.68 -40.41 72.28 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -56.88 -49.43 75.56 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.212 0.914 . . . . 0.0 111.963 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.31 -40.31 81.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.002 0.521 . . . . 0.0 112.358 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' THR . . . . . 0.411 ' HG1' ' CD ' ' D' ' 92' ' ' GLU . 7.0 m -65.57 -43.45 89.77 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.621 0.646 . . . . 0.0 111.451 174.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.76 -32.18 73.59 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.09 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 49.2 t -59.11 -42.38 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 120.511 1.505 . . . . 0.0 111.466 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . 0.4 ' CE1' ' HB ' ' D' ' 89' ' ' VAL . 7.5 t60 -72.32 -49.59 33.29 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.616 1.553 . . . . 0.0 112.543 178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -73.6 -35.89 65.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 118.081 -0.962 . . . . 0.0 112.13 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.23 -33.8 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.689 1.586 . . . . 0.0 110.076 165.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.7 91.47 Favored Glycine 0 CA--C 1.537 1.419 0 O-C-N 120.681 -1.262 . . . . 0.0 112.967 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.11 -34.94 73.73 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.945 -1.326 . . . . 0.0 112.642 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' SER . . . . . . . . . . . . . 38.1 m -61.83 -13.58 25.45 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 120.281 1.401 . . . . 0.0 114.544 168.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.15 -10.05 20.78 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.998 1.719 . . . . 0.0 112.878 171.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 99.61 18.58 22.85 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.463 1.03 . . . . 0.0 115.308 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.71 147.5 51.75 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.09 1.445 . . . . 0.0 112.394 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -85.19 -132.8 2.75 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 170.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -135.17 144.7 47.16 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.206 1.003 . . . . 0.0 113.086 167.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 20.7 t -77.54 161.78 27.63 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.317 -0.864 . . . . 0.0 111.434 163.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' SER . . . . . . . . . . . . . 43.8 p -107.24 8.57 29.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.181 1.792 . . . . 0.0 113.726 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -103.35 121.17 49.56 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 126.534 1.934 . . . . 0.0 111.223 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' PRO . . . . . 0.452 ' HA ' ' CD2' ' A' ' 237' ' ' PHE . 91.8 Cg_exo -51.56 -17.09 4.21 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 124.135 3.223 . . . . 0.0 117.38 174.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -81.54 -12.68 58.72 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' ALA . . . . . . . . . . . . . . . -85.24 148.95 25.82 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -175.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.62 -31.86 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.569 -0.707 . . . . 0.0 111.474 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' MET . . . . . . . . . . . . . 78.7 mmm -83.21 12.84 4.73 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 170.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' PHE . . . . . 0.524 ' CD1' ' HD2' ' A' ' 238' ' ' PRO . 41.9 t80 -65.82 151.46 94.93 Favored Pre-proline 0 CA--C 1.546 0.799 0 O-C-N 120.117 -1.614 . . . . 0.0 109.737 166.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' PRO . . . . . 0.524 ' HD2' ' CD1' ' A' ' 237' ' ' PHE . 45.1 Cg_endo -61.13 15.69 0.04 OUTLIER 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.812 3.008 . . . . 0.0 115.379 167.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' THR . . . . . . . . . . . . . 9.0 m -140.59 114.9 9.28 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.019 1.736 . . . . 0.0 111.697 176.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 240' ' ' TYR . . . . . 0.427 ' CE2' ' HG3' ' D' ' 92' ' ' GLU . 2.4 t80 -66.46 138.54 57.62 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 161.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -120.74 146.51 46.41 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 157.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -70.85 129.9 40.28 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 118.681 -1.207 . . . . 0.0 108.219 169.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 26.7 m -128.49 149.19 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 125.011 1.324 . . . . 0.0 107.71 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 244' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.54 106.12 0.51 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.88 0.371 . . . . 0.0 110.228 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 245' ' ' ILE . . . . . . . . . . . . . 11.8 pt -61.08 -25.13 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -169.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -65.03 -23.17 67.12 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.838 1.655 . . . . 0.0 113.242 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 247' ' ' THR . . . . . . . . . . . . . 70.9 p -120.53 14.83 11.95 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.84 1.256 . . . . 0.0 113.444 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 248' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -51.1 141.32 14.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.9 1.28 . . . . 0.0 114.297 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -141.23 143.48 34.18 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.137 1.775 . . . . 0.0 110.191 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.26 152.97 19.61 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.415 0.686 . . . . 0.0 110.559 161.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.1 p -82.67 159.24 22.68 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.992 -0.443 . . . . 0.0 110.987 167.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -59.19 -34.92 72.71 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.697 -0.668 . . . . 0.0 112.307 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 253' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.34 -19.31 61.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.124 0.97 . . . . 0.0 113.5 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -79.87 -41.0 27.15 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.97 -1.081 . . . . 0.0 111.251 170.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.3 -41.71 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.197 0.599 . . . . 0.0 110.079 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 57.1 mmt-85 -56.51 -44.89 81.19 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.102 0.864 . . . . 0.0 111.078 173.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 257' ' ' GLY . . . . . . . . . . . . . . . -61.74 -57.63 16.74 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 124.515 1.055 . . . . 0.0 112.729 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 258' ' ' ILE . . . . . . . . . . . . . 4.0 tp -67.2 -37.11 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.025 0.913 . . . . 0.0 111.351 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 259' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -72.06 -11.96 60.99 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 260' ' ' SER . . . . . . . . . . . . . 25.2 p -84.72 -10.13 57.56 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.891 -1.131 . . . . 0.0 113.65 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 261' ' ' LEU . . . . . . . . . . . . . 55.1 mt -109.62 -29.56 8.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.855 1.662 . . . . 0.0 112.203 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -138.59 133.21 32.22 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.264 1.426 . . . . 0.0 110.974 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 263' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.001 0 C-N-CA 125.175 1.369 . . . . 0.0 113.822 -177.127 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 CA-C-O 118.537 -1.146 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -72.93 128.74 13.48 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.351 2.701 . . . . 0.0 112.478 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.95 168.55 44.12 Favored Glycine 0 CA--C 1.535 1.335 0 N-CA-C 115.117 0.807 . . . . 0.0 115.117 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -74.36 162.51 38.24 Favored 'Trans proline' 0 CA--C 1.547 1.168 0 C-N-CA 123.468 2.779 . . . . 0.0 111.047 169.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 168.66 47.07 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 114.286 0.475 . . . . 0.0 114.286 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -55.14 156.85 15.11 Favored 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.117 3.211 . . . . 0.0 114.969 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.25 150.12 2.41 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 125.091 1.329 . . . . 0.0 115.178 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.46 140.98 45.19 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 CA-C-N 119.574 1.687 . . . . 0.0 110.201 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.64 145.87 44.84 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-O 119.761 -0.466 . . . . 0.0 112.33 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.92 152.65 49.2 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.336 2.024 . . . . 0.0 112.548 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -60.42 148.41 90.69 Favored 'Trans proline' 0 C--O 1.238 0.516 0 C-N-CA 123.11 2.54 . . . . 0.0 112.919 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.69 159.81 30.29 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 123.112 0.387 . . . . 0.0 113.434 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.4 t -69.11 145.74 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 121.791 -0.829 . . . . 0.0 111.892 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.14 144.31 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.872 0.869 . . . . 0.0 110.418 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.0 157.46 26.96 Favored Glycine 0 CA--C 1.541 1.692 0 O-C-N 121.227 -0.921 . . . . 0.0 114.16 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -76.4 -158.04 0.09 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.412 1.085 . . . . 0.0 111.292 167.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.93 137.46 44.94 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.38 137.77 49.72 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 126.633 2.063 . . . . 0.0 114.116 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -58.98 146.06 39.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.713 0.768 . . . . 0.0 110.142 169.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.95 153.85 42.32 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.367 0.603 . . . . 0.0 111.135 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 150.05 50.94 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 113.171 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.51 141.83 57.02 Favored 'Trans proline' 0 CA--C 1.552 1.405 0 C-N-CA 121.794 1.662 . . . . 0.0 110.798 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.31 152.0 41.8 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.735 1.16 . . . . 0.0 114.253 -176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.43 145.09 95.68 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.286 1.991 . . . . 0.0 111.292 173.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.6 170.28 32.07 Favored Glycine 0 CA--C 1.542 1.771 0 N-CA-C 114.686 0.635 . . . . 0.0 114.686 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -67.27 154.33 74.45 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.987 2.458 . . . . 0.0 112.343 173.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.55 167.49 44.33 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.016 1.293 . . . . 0.0 115.349 -171.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -63.1 145.3 93.78 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.666 2.244 . . . . 0.0 112.88 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.796 0 CA-C-O 118.765 -1.02 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -66.92 143.65 67.26 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.019 2.479 . . . . 0.0 113.666 -171.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.96 173.58 53.59 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 123.686 0.66 . . . . 0.0 114.738 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -69.28 164.88 32.38 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.445 2.764 . . . . 0.0 113.67 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.57 167.49 19.47 Favored Glycine 0 CA--C 1.54 1.632 0 O-C-N 122.192 -0.318 . . . . 0.0 113.716 171.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -54.7 155.64 16.96 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.928 2.419 . . . . 0.0 112.15 166.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.51 156.16 12.78 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.368 0.985 . . . . 0.0 114.539 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.72 152.85 46.55 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.462 2.108 . . . . 0.0 111.591 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.37 159.05 53.16 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.676 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.91 155.35 69.86 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 122.221 1.947 . . . . 0.0 111.724 172.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -65.87 158.47 53.71 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.399 2.066 . . . . 0.0 111.52 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.0 152.19 49.9 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.849 0.737 . . . . 0.0 112.37 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' VAL . . . . . . . . . . . . . 5.2 m -79.99 145.75 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 111.641 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 93.4 t -53.86 145.33 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.906 1.282 . . . . 0.0 111.145 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.96 -176.49 43.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.206 1.384 . . . . 0.0 113.969 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.53 126.35 27.22 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.316 -1.108 . . . . 0.0 113.668 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -57.13 142.77 41.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.321 1.448 . . . . 0.0 112.28 174.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.5 145.79 44.59 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.346 0.498 . . . . 0.0 113.21 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.61 151.82 42.12 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.331 -1.099 . . . . 0.0 113.122 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -54.16 137.28 40.99 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.492 1.117 . . . . 0.0 111.583 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.71 147.83 39.66 Favored Glycine 0 CA--C 1.536 1.357 0 CA-C-O 119.81 -0.439 . . . . 0.0 112.541 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -56.63 138.37 84.59 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.962 1.774 . . . . 0.0 111.965 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.79 158.72 52.79 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 121.865 -0.522 . . . . 0.0 113.669 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -60.82 149.72 86.71 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.754 2.302 . . . . 0.0 112.323 172.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.12 171.63 31.66 Favored Glycine 0 CA--C 1.542 1.74 0 N-CA-C 114.612 0.605 . . . . 0.0 114.612 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -62.73 153.37 72.81 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.217 2.611 . . . . 0.0 113.507 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.63 155.36 33.38 Favored Glycine 0 CA--C 1.542 1.759 0 O-C-N 121.498 -0.752 . . . . 0.0 113.894 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.04 155.68 29.98 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.249 2.633 . . . . 0.0 112.458 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 CA-C-O 118.522 -1.154 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -58.84 144.23 98.7 Favored 'Trans proline' 0 CA--C 1.551 1.355 0 C-N-CA 124.075 3.184 . . . . 0.0 114.716 178.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.01 172.84 2.71 Favored Glycine 0 CA--C 1.551 2.3 0 N-CA-C 119.138 2.415 . . . . 0.0 119.138 161.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 77' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -72.6 133.2 20.07 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 C-N-CA 124.996 3.797 . . . . 0.0 113.511 172.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 78' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.38 150.11 15.42 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.615 1.578 . . . . 0.0 115.682 164.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -61.43 144.68 98.31 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.805 2.337 . . . . 0.0 113.061 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.44 158.76 50.83 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 123.375 0.512 . . . . 0.0 113.486 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 83' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -64.47 125.85 15.79 Favored 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 122.402 2.068 . . . . 0.0 112.713 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 84' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.96 166.92 39.67 Favored Glycine 0 CA--C 1.546 1.979 0 N-CA-C 116.873 1.509 . . . . 0.0 116.873 -163.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 86' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -79.45 148.76 21.04 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.95 3.1 . . . . 0.0 111.78 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 87' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -70.78 -177.04 2.0 Allowed 'Trans proline' 0 CA--C 1.554 1.522 0 N-CA-C 119.628 2.895 . . . . 0.0 119.628 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.61 -131.6 0.01 OUTLIER Glycine 0 C--N 1.335 0.519 0 C-N-CA 128.338 2.875 . . . . 0.0 114.831 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 89' ' ' VAL . . . . . 0.4 ' HB ' ' CE1' ' A' ' 218' ' ' HIS . 2.4 p -179.49 137.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 C-N-CA 129.386 3.074 . . . . 0.0 103.521 167.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 m -57.53 145.44 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 121.774 2.079 . . . . 0.0 110.057 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.69 140.98 44.89 Favored Glycine 0 N--CA 1.447 -0.581 0 O-C-N 124.166 0.916 . . . . 0.0 111.27 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 92' ' ' GLU . . . . . 0.427 ' HG3' ' CE2' ' A' ' 240' ' ' TYR . 0.5 OUTLIER -27.25 133.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 129.424 3.09 . . . . 0.0 114.433 -178.203 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -52.48 144.55 13.16 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.906 0.882 . . . . 0.0 110.594 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 94' ' ' GLY . . . . . . . . . . . . . . . -52.44 151.35 8.0 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 115.384 0.914 . . . . 0.0 115.384 -172.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.07 154.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.556 1.542 . . . . 0.0 112.228 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 96' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -51.38 132.07 29.07 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.838 165.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.69 132.87 41.01 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-O 118.291 -1.283 . . . . 0.0 111.769 169.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 98' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -54.6 137.41 73.34 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.448 2.766 . . . . 0.0 112.081 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 99' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.81 160.95 18.75 Favored Glycine 0 CA--C 1.536 1.378 0 O-C-N 122.351 -0.218 . . . . 0.0 113.366 -177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -67.54 153.98 74.88 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.044 1.83 . . . . 0.0 110.548 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 102' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.33 172.89 25.88 Favored Glycine 0 CA--C 1.541 1.702 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 104' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -71.04 152.67 62.89 Favored 'Trans proline' 0 CA--C 1.546 1.119 0 C-N-CA 123.335 2.69 . . . . 0.0 112.481 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 105' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.54 167.07 41.5 Favored Glycine 0 CA--C 1.543 1.809 0 C-N-CA 125.437 1.494 . . . . 0.0 115.347 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 107' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.12 122.91 5.92 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 C-N-CA 123.471 2.781 . . . . 0.0 113.281 -167.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 108' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 304' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 9.95 1.65 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.975 2.213 . . . . 0.0 116.975 -158.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.36 146.21 38.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.182 2.193 . . . . 0.0 111.343 -176.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.2 mmt -52.49 138.56 39.91 Favored Pre-proline 0 N--CA 1.477 0.913 0 O-C-N 120.885 -1.135 . . . . 0.0 111.131 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.31 128.39 17.33 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.124 2.55 . . . . 0.0 110.345 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.64 -62.17 0.66 Allowed Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.998 1.285 . . . . 0.0 111.937 -159.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.69 100.42 2.19 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.61 1.576 . . . . 0.0 114.829 163.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -81.16 140.77 12.56 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.25 2.633 . . . . 0.0 109.952 163.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.73 166.95 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.683 1.593 . . . . 0.0 109.904 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -81.7 131.8 35.27 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.33 0.586 . . . . 0.0 110.877 167.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -97.18 27.35 4.17 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.614 1.966 . . . . 0.0 112.333 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -155.82 153.38 29.68 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 130.082 3.353 . . . . 0.0 108.392 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -91.93 -31.16 15.75 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.409 1.084 . . . . 0.0 113.187 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.48 98.27 10.0 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 123.84 0.856 . . . . 0.0 111.318 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.7 mm -103.61 149.28 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.889 1.675 . . . . 0.0 109.915 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.0 p -119.75 151.08 39.35 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.971 1.308 . . . . 0.0 112.037 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -134.17 153.93 51.54 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.774 0.83 . . . . 0.0 112.618 171.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -135.46 134.98 40.14 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.789 0.835 . . . . 0.0 109.629 171.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 93.8 mt -85.9 110.91 20.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 170.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -65.5 -44.86 85.71 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.985 0.914 . . . . 0.0 111.553 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -154.11 160.3 41.88 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 127.687 2.395 . . . . 0.0 107.837 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -106.02 152.87 22.81 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.489 0.716 . . . . 0.0 110.709 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.2 t -82.16 136.54 46.65 Favored Pre-proline 0 N--CA 1.471 0.585 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.357 173.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -73.88 -8.57 21.45 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.735 2.957 . . . . 0.0 113.388 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -67.24 -30.7 70.68 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.15 0.98 . . . . 0.0 112.531 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 98.8 mtp -119.42 163.09 17.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.224 1.81 . . . . 0.0 112.591 -169.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -67.32 144.75 55.69 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.454 -0.779 . . . . 0.0 110.298 163.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -56.89 -43.52 81.38 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.118 -0.989 . . . . 0.0 112.202 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.95 -18.47 64.09 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -86.27 -35.22 20.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.1 0.96 . . . . 0.0 111.83 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.51 -44.73 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 118.88 0.764 . . . . 0.0 109.785 168.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -50.08 71.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.798 0.839 . . . . 0.0 112.011 174.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -71.69 -33.79 69.11 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.92 74.83 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.341 0.656 . . . . 0.0 111.33 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 29.8 mm -69.1 -39.84 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.028 0.531 . . . . 0.0 111.437 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -60.47 -47.49 85.9 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.183 -0.948 . . . . 0.0 111.668 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -68.21 -32.26 72.34 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 118.106 -0.949 . . . . 0.0 112.65 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.25 85.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.919 0.888 . . . . 0.0 112.322 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -66.16 -39.67 89.96 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.424 -0.797 . . . . 0.0 112.097 169.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.15 -36.98 81.25 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.541 1.064 . . . . 0.0 113.502 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 4.3 t -52.16 -39.73 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.543 0.737 . . . . 0.0 111.304 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -88.35 -31.32 18.96 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 94.7 p -75.16 -19.66 59.75 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 120.382 1.447 . . . . 0.0 112.869 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -58.63 -25.54 62.81 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.1 m -122.15 4.93 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.409 1.483 . . . . 0.0 114.603 -166.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 31.3 p -143.91 170.02 9.22 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-N 119.867 1.212 . . . . 0.0 112.507 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -62.92 -7.19 10.85 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.42 2.746 . . . . 0.0 116.239 169.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 63.6 mt -71.01 145.05 50.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.671 1.123 . . . . 0.0 112.62 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -121.86 134.55 54.88 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.537 1.935 . . . . 0.0 108.232 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -121.44 125.11 46.1 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.649 0.78 . . . . 0.0 111.702 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.1 128.27 41.52 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -75.76 135.91 40.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.731 0.813 . . . . 0.0 110.674 172.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 25.8 pt -129.45 155.13 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.599 1.559 . . . . 0.0 110.901 172.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -117.06 -8.72 11.18 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -166.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.5 t -148.59 158.63 44.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.199 1.4 . . . . 0.0 110.271 170.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.91 -172.37 54.27 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.98 1.276 . . . . 0.0 114.466 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 56.0 ttm -80.41 136.22 36.31 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.289 1.435 . . . . 0.0 111.07 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -110.23 165.3 11.87 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.365 1.066 . . . . 0.0 111.145 171.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.4 -50.71 58.4 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.285 -0.885 . . . . 0.0 109.774 169.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 96.9 mt -113.18 113.44 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.106 1.362 . . . . 0.0 110.181 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 14.0 tp -88.75 129.92 35.45 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.584 -0.698 . . . . 0.0 110.489 168.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 41.0 t -98.61 123.43 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.227 1.411 . . . . 0.0 108.168 169.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 27.8 t -132.48 136.64 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.254 1.022 . . . . 0.0 110.761 -170.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -105.98 130.88 53.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.422 0.556 . . . . 0.0 110.167 165.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.46 165.09 35.25 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.777 1.231 . . . . 0.0 111.113 -174.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -137.4 156.86 47.7 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.846 -1.159 . . . . 0.0 111.656 170.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 54.72 -142.73 33.57 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-O 122.243 0.913 . . . . 0.0 112.856 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -69.92 125.85 27.95 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.71 -0.876 . . . . 0.0 111.345 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -139.27 31.1 2.15 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.045 1.738 . . . . 0.0 113.747 -170.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.93 11.06 60.68 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 117.897 1.919 . . . . 0.0 117.897 165.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -140.89 169.65 17.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.234 1.517 . . . . 0.0 111.825 163.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -69.28 29.23 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -130.86 42.82 3.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.07 2.548 . . . . 0.0 110.41 -172.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -56.41 137.12 53.4 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.442 0.697 . . . . 0.0 112.287 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -83.27 178.08 8.23 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.834 1.254 . . . . 0.0 110.72 173.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -157.51 31.53 0.28 Allowed 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -142.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 73.62 -173.53 49.45 Favored Glycine 0 N--CA 1.472 1.054 0 O-C-N 120.764 -1.21 . . . . 0.0 113.136 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -57.74 140.14 52.18 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.483 1.142 . . . . 0.0 112.071 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 65.81 -165.02 38.19 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 -173.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 52.75 -135.66 38.17 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 -166.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 4.1 mm -59.75 128.16 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 119.058 1.429 . . . . 0.0 111.269 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' C' ' 57' ' ' GLN . 7.5 mt -107.49 -22.04 12.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.552 0.741 . . . . 0.0 112.464 172.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -162.15 170.84 18.4 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.584 1.154 . . . . 0.0 113.024 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -151.05 141.83 22.8 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.75 1.62 . . . . 0.0 111.121 161.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -95.69 -176.52 3.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.36 1.064 . . . . 0.0 113.179 168.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -135.58 146.57 48.1 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.409 1.884 . . . . 0.0 110.088 159.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -65.13 160.95 42.02 Favored Glycine 0 CA--C 1.541 1.664 0 CA-C-O 119.369 -0.684 . . . . 0.0 113.783 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.72 142.08 14.82 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.073 3.182 . . . . 0.0 114.422 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 145.93 174.69 18.33 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.598 1.094 . . . . 0.0 112.106 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 68.4 p -70.7 162.0 29.81 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -176.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 56.39 -120.04 17.88 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.952 0.786 . . . . 0.0 112.971 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 1.8 pp -61.7 -17.21 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -56.65 141.99 41.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 121.19 -0.944 . . . . 0.0 112.062 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . 77.08 -10.23 21.36 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.799 1.666 . . . . 0.0 115.979 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -83.53 139.45 32.88 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 121.134 2.467 . . . . 0.0 112.834 -164.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ALA . . . . . . . . . . . . . . . -114.04 107.32 15.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.3 1.84 . . . . 0.0 109.998 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -102.04 133.39 46.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.517 1.527 . . . . 0.0 109.457 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -122.81 144.54 49.12 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.094 1.758 . . . . 0.0 110.279 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -84.78 127.95 34.37 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.255 1.026 . . . . 0.0 111.888 -175.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -86.03 -20.14 29.27 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.843 1.257 . . . . 0.0 113.107 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.25 -25.5 67.86 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.402 1.001 . . . . 0.0 112.263 169.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -74.12 155.75 38.11 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.022 0.929 . . . . 0.0 111.576 172.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -106.31 97.6 7.38 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.31 0.644 . . . . 0.0 111.411 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -73.17 141.93 47.4 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.713 1.205 . . . . 0.0 112.74 -175.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 64.9 p -143.5 156.85 44.74 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 123.451 1.596 . . . . 0.0 113.295 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' THR . . . . . . . . . . . . . 29.5 p -76.26 -18.43 59.0 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.928 1.691 . . . . 0.0 113.478 165.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 206' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -127.15 -173.83 3.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.714 1.206 . . . . 0.0 112.624 -153.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' SER . . . . . . . . . . . . . 36.2 p -71.7 -33.79 69.07 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -174.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -71.26 162.05 54.18 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.001 0.81 . . . . 0.0 113.28 169.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' GLY . . . . . . . . . . . . . . . 70.28 -120.4 9.32 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.263 0.935 . . . . 0.0 114.391 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.5 m -142.66 101.14 3.81 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.402 1.481 . . . . 0.0 108.617 -170.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -79.62 99.03 7.16 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.749 -1.22 . . . . 0.0 112.555 -165.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 59.8 tp -55.68 -40.41 72.28 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -56.88 -49.43 75.56 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.212 0.914 . . . . 0.0 111.963 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.31 -40.31 81.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.002 0.521 . . . . 0.0 112.358 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.0 m -65.57 -43.45 89.77 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.621 0.646 . . . . 0.0 111.451 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.76 -32.18 73.59 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.09 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 49.2 t -59.11 -42.38 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 120.511 1.505 . . . . 0.0 111.466 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -72.32 -49.59 33.29 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.616 1.553 . . . . 0.0 112.543 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -73.6 -35.89 65.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 118.081 -0.962 . . . . 0.0 112.13 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.23 -33.8 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.689 1.586 . . . . 0.0 110.076 165.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.7 91.47 Favored Glycine 0 CA--C 1.537 1.419 0 O-C-N 120.681 -1.262 . . . . 0.0 112.967 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.11 -34.94 73.73 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.945 -1.326 . . . . 0.0 112.642 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' SER . . . . . . . . . . . . . 38.1 m -61.83 -13.58 25.45 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 120.281 1.401 . . . . 0.0 114.544 168.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.15 -10.05 20.78 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.998 1.719 . . . . 0.0 112.878 171.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 99.61 18.58 22.85 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.463 1.03 . . . . 0.0 115.308 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.71 147.5 51.75 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.09 1.445 . . . . 0.0 112.394 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -85.19 -132.8 2.75 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 170.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -135.17 144.7 47.16 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.206 1.003 . . . . 0.0 113.086 167.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 20.7 t -77.54 161.78 27.63 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.317 -0.864 . . . . 0.0 111.434 163.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' SER . . . . . . . . . . . . . 43.8 p -107.24 8.57 29.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.181 1.792 . . . . 0.0 113.726 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -103.35 121.17 49.56 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 126.534 1.934 . . . . 0.0 111.223 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 232' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 237' ' ' PHE . 91.8 Cg_exo -51.56 -17.09 4.21 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 124.135 3.223 . . . . 0.0 117.38 174.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 233' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -81.54 -12.68 58.72 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 234' ' ' ALA . . . . . . . . . . . . . . . -85.24 148.95 25.82 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -175.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 235' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.62 -31.86 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.569 -0.707 . . . . 0.0 111.474 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 236' ' ' MET . . . . . . . . . . . . . 78.7 mmm -83.21 12.84 4.73 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 170.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 237' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 238' ' ' PRO . 41.9 t80 -65.82 151.46 94.93 Favored Pre-proline 0 CA--C 1.546 0.799 0 O-C-N 120.117 -1.614 . . . . 0.0 109.737 166.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 238' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 237' ' ' PHE . 45.1 Cg_endo -61.13 15.69 0.04 OUTLIER 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.812 3.008 . . . . 0.0 115.379 167.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 239' ' ' THR . . . . . 0.402 HG23 ' CG2' ' D' ' 90' ' ' VAL . 9.0 m -140.59 114.9 9.28 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.019 1.736 . . . . 0.0 111.697 176.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 240' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' D' ' 92' ' ' GLU . 2.4 t80 -66.46 138.54 57.62 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 161.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 241' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -120.74 146.51 46.41 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 157.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -70.85 129.9 40.28 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 118.681 -1.207 . . . . 0.0 108.219 169.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 26.7 m -128.49 149.19 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 125.011 1.324 . . . . 0.0 107.71 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 244' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.54 106.12 0.51 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.88 0.371 . . . . 0.0 110.228 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 245' ' ' ILE . . . . . . . . . . . . . 11.8 pt -61.08 -25.13 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -169.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -65.03 -23.17 67.12 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.838 1.655 . . . . 0.0 113.242 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 247' ' ' THR . . . . . . . . . . . . . 70.9 p -120.53 14.83 11.95 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.84 1.256 . . . . 0.0 113.444 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 248' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -51.1 141.32 14.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.9 1.28 . . . . 0.0 114.297 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -141.23 143.48 34.18 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.137 1.775 . . . . 0.0 110.191 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.26 152.97 19.61 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.415 0.686 . . . . 0.0 110.559 161.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.1 p -82.67 159.24 22.68 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.992 -0.443 . . . . 0.0 110.987 167.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -59.19 -34.92 72.71 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.697 -0.668 . . . . 0.0 112.307 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 253' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.34 -19.31 61.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.124 0.97 . . . . 0.0 113.5 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -79.87 -41.0 27.15 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.97 -1.081 . . . . 0.0 111.251 170.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.3 -41.71 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.197 0.599 . . . . 0.0 110.079 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 57.1 mmt-85 -56.51 -44.89 81.19 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.102 0.864 . . . . 0.0 111.078 173.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 257' ' ' GLY . . . . . . . . . . . . . . . -61.74 -57.63 16.74 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 124.515 1.055 . . . . 0.0 112.729 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 258' ' ' ILE . . . . . . . . . . . . . 4.0 tp -67.2 -37.11 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.025 0.913 . . . . 0.0 111.351 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 259' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -72.06 -11.96 60.99 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 260' ' ' SER . . . . . . . . . . . . . 25.2 p -84.72 -10.13 57.56 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.891 -1.131 . . . . 0.0 113.65 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 261' ' ' LEU . . . . . . . . . . . . . 55.1 mt -109.62 -29.56 8.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.855 1.662 . . . . 0.0 112.203 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -138.59 133.21 32.22 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.264 1.426 . . . . 0.0 110.974 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 263' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.001 0 C-N-CA 125.175 1.369 . . . . 0.0 113.822 -177.127 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 CA-C-O 118.537 -1.146 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -72.93 128.74 13.48 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.351 2.701 . . . . 0.0 112.478 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.95 168.55 44.12 Favored Glycine 0 CA--C 1.535 1.335 0 N-CA-C 115.117 0.807 . . . . 0.0 115.117 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -74.36 162.51 38.24 Favored 'Trans proline' 0 CA--C 1.547 1.168 0 C-N-CA 123.468 2.779 . . . . 0.0 111.047 169.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 168.66 47.07 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 114.286 0.475 . . . . 0.0 114.286 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.435 ' HA ' HD23 ' B' ' 9' ' ' HYP . 84.8 Cg_exo -55.14 156.85 15.11 Favored 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.117 3.211 . . . . 0.0 114.969 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' HYP . . . . . 0.435 HD23 ' HA ' ' B' ' 8' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.25 150.12 2.41 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 125.091 1.329 . . . . 0.0 115.178 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.46 140.98 45.19 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 CA-C-N 119.574 1.687 . . . . 0.0 110.201 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.64 145.87 44.84 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-O 119.761 -0.466 . . . . 0.0 112.33 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.92 152.65 49.2 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.336 2.024 . . . . 0.0 112.548 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -60.42 148.41 90.69 Favored 'Trans proline' 0 C--O 1.238 0.516 0 C-N-CA 123.11 2.54 . . . . 0.0 112.919 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.69 159.81 30.29 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 123.112 0.387 . . . . 0.0 113.434 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.4 t -69.11 145.74 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 121.791 -0.829 . . . . 0.0 111.892 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.14 144.31 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.872 0.869 . . . . 0.0 110.418 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.0 157.46 26.96 Favored Glycine 0 CA--C 1.541 1.692 0 O-C-N 121.227 -0.921 . . . . 0.0 114.16 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 0.467 ' C ' HG12 ' D' ' 90' ' ' VAL . 51.8 mt-10 -76.4 -158.04 0.09 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.412 1.085 . . . . 0.0 111.292 167.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.93 137.46 44.94 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.38 137.77 49.72 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 126.633 2.063 . . . . 0.0 114.116 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -58.98 146.06 39.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.713 0.768 . . . . 0.0 110.142 169.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.95 153.85 42.32 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.367 0.603 . . . . 0.0 111.135 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 150.05 50.94 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 113.171 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.51 141.83 57.02 Favored 'Trans proline' 0 CA--C 1.552 1.405 0 C-N-CA 121.794 1.662 . . . . 0.0 110.798 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.31 152.0 41.8 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.735 1.16 . . . . 0.0 114.253 -176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.43 145.09 95.68 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.286 1.991 . . . . 0.0 111.292 173.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.6 170.28 32.07 Favored Glycine 0 CA--C 1.542 1.771 0 N-CA-C 114.686 0.635 . . . . 0.0 114.686 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -67.27 154.33 74.45 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.987 2.458 . . . . 0.0 112.343 173.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.55 167.49 44.33 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.016 1.293 . . . . 0.0 115.349 -171.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -63.1 145.3 93.78 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.666 2.244 . . . . 0.0 112.88 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.796 0 CA-C-O 118.765 -1.02 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -66.92 143.65 67.26 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.019 2.479 . . . . 0.0 113.666 -171.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.96 173.58 53.59 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 123.686 0.66 . . . . 0.0 114.738 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -69.28 164.88 32.38 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.445 2.764 . . . . 0.0 113.67 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.57 167.49 19.47 Favored Glycine 0 CA--C 1.54 1.632 0 O-C-N 122.192 -0.318 . . . . 0.0 113.716 171.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -54.7 155.64 16.96 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.928 2.419 . . . . 0.0 112.15 166.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.51 156.16 12.78 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.368 0.985 . . . . 0.0 114.539 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.72 152.85 46.55 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.462 2.108 . . . . 0.0 111.591 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.37 159.05 53.16 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.676 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.91 155.35 69.86 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 122.221 1.947 . . . . 0.0 111.724 172.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -65.87 158.47 53.71 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.399 2.066 . . . . 0.0 111.52 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.0 152.19 49.9 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.849 0.737 . . . . 0.0 112.37 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' VAL . . . . . . . . . . . . . 5.2 m -79.99 145.75 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 111.641 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 93.4 t -53.86 145.33 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.906 1.282 . . . . 0.0 111.145 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.96 -176.49 43.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.206 1.384 . . . . 0.0 113.969 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.53 126.35 27.22 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.316 -1.108 . . . . 0.0 113.668 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' GLN . . . . . 0.444 ' HB2' HD21 ' A' ' 181' ' ' LEU . 43.8 tt0 -57.13 142.77 41.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.321 1.448 . . . . 0.0 112.28 174.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.5 145.79 44.59 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.346 0.498 . . . . 0.0 113.21 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.61 151.82 42.12 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.331 -1.099 . . . . 0.0 113.122 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -54.16 137.28 40.99 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.492 1.117 . . . . 0.0 111.583 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.71 147.83 39.66 Favored Glycine 0 CA--C 1.536 1.357 0 CA-C-O 119.81 -0.439 . . . . 0.0 112.541 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -56.63 138.37 84.59 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.962 1.774 . . . . 0.0 111.965 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.79 158.72 52.79 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 121.865 -0.522 . . . . 0.0 113.669 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -60.82 149.72 86.71 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.754 2.302 . . . . 0.0 112.323 172.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.12 171.63 31.66 Favored Glycine 0 CA--C 1.542 1.74 0 N-CA-C 114.612 0.605 . . . . 0.0 114.612 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -62.73 153.37 72.81 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.217 2.611 . . . . 0.0 113.507 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.63 155.36 33.38 Favored Glycine 0 CA--C 1.542 1.759 0 O-C-N 121.498 -0.752 . . . . 0.0 113.894 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.04 155.68 29.98 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.249 2.633 . . . . 0.0 112.458 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 CA-C-O 118.522 -1.154 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 74' ' ' PRO . . . . . 0.411 ' HA ' HD23 ' D' ' 75' ' ' HYP . 87.8 Cg_exo -58.84 144.23 98.7 Favored 'Trans proline' 0 CA--C 1.551 1.355 0 C-N-CA 124.075 3.184 . . . . 0.0 114.716 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 75' ' ' HYP . . . . . 0.411 HD23 ' HA ' ' D' ' 74' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.01 172.84 2.71 Favored Glycine 0 CA--C 1.551 2.3 0 N-CA-C 119.138 2.415 . . . . 0.0 119.138 161.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 77' ' ' PRO . . . . . 0.447 ' HA ' HD23 ' D' ' 78' ' ' HYP . 52.1 Cg_exo -72.6 133.2 20.07 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 C-N-CA 124.996 3.797 . . . . 0.0 113.511 172.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 78' ' ' HYP . . . . . 0.447 HD23 ' HA ' ' D' ' 77' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.38 150.11 15.42 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.615 1.578 . . . . 0.0 115.682 164.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 80' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -61.43 144.68 98.31 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.805 2.337 . . . . 0.0 113.061 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 81' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.44 158.76 50.83 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 123.375 0.512 . . . . 0.0 113.486 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 83' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -64.47 125.85 15.79 Favored 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 122.402 2.068 . . . . 0.0 112.713 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 84' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.96 166.92 39.67 Favored Glycine 0 CA--C 1.546 1.979 0 N-CA-C 116.873 1.509 . . . . 0.0 116.873 -163.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 86' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' D' ' 87' ' ' PRO . 63.2 Cg_endo -79.45 148.76 21.04 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.95 3.1 . . . . 0.0 111.78 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 87' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' D' ' 86' ' ' PRO . 72.0 Cg_exo -70.78 -177.04 2.0 Allowed 'Trans proline' 0 CA--C 1.554 1.522 0 N-CA-C 119.628 2.895 . . . . 0.0 119.628 -168.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.61 -131.6 0.01 OUTLIER Glycine 0 C--N 1.335 0.519 0 C-N-CA 128.338 2.875 . . . . 0.0 114.831 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -179.49 137.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 C-N-CA 129.386 3.074 . . . . 0.0 103.521 167.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 90' ' ' VAL . . . . . 0.467 HG12 ' C ' ' B' ' 20' ' ' GLU . 3.2 m -57.53 145.44 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 121.774 2.079 . . . . 0.0 110.057 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.69 140.98 44.89 Favored Glycine 0 N--CA 1.447 -0.581 0 O-C-N 124.166 0.916 . . . . 0.0 111.27 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 92' ' ' GLU . . . . . 0.438 ' HG3' ' CE2' ' A' ' 240' ' ' TYR . 0.5 OUTLIER -27.25 133.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 129.424 3.09 . . . . 0.0 114.433 -178.203 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -52.48 144.55 13.16 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.906 0.882 . . . . 0.0 110.594 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 94' ' ' GLY . . . . . . . . . . . . . . . -52.44 151.35 8.0 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 115.384 0.914 . . . . 0.0 115.384 -172.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.07 154.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.556 1.542 . . . . 0.0 112.228 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 96' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -51.38 132.07 29.07 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.838 165.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.69 132.87 41.01 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-O 118.291 -1.283 . . . . 0.0 111.769 169.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 98' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -54.6 137.41 73.34 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.448 2.766 . . . . 0.0 112.081 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 99' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.81 160.95 18.75 Favored Glycine 0 CA--C 1.536 1.378 0 O-C-N 122.351 -0.218 . . . . 0.0 113.366 -177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -67.54 153.98 74.88 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.044 1.83 . . . . 0.0 110.548 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 102' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.33 172.89 25.88 Favored Glycine 0 CA--C 1.541 1.702 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 104' ' ' PRO . . . . . 0.401 ' HA ' HD23 ' D' ' 105' ' ' HYP . 40.4 Cg_endo -71.04 152.67 62.89 Favored 'Trans proline' 0 CA--C 1.546 1.119 0 C-N-CA 123.335 2.69 . . . . 0.0 112.481 175.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 105' ' ' HYP . . . . . 0.401 HD23 ' HA ' ' D' ' 104' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.54 167.07 41.5 Favored Glycine 0 CA--C 1.543 1.809 0 C-N-CA 125.437 1.494 . . . . 0.0 115.347 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 107' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.12 122.91 5.92 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 C-N-CA 123.471 2.781 . . . . 0.0 113.281 -167.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 108' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 302' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 304' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 305' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.85 9.95 1.65 Allowed 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 116.975 2.213 . . . . 0.0 116.975 -158.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.36 146.21 38.12 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 127.182 2.193 . . . . 0.0 111.343 -176.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.2 mmt -52.49 138.56 39.91 Favored Pre-proline 0 N--CA 1.477 0.913 0 O-C-N 120.885 -1.135 . . . . 0.0 111.131 177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.31 128.39 17.33 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 123.124 2.55 . . . . 0.0 110.345 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 69.64 -62.17 0.66 Allowed Glycine 0 CA--C 1.536 1.391 0 C-N-CA 124.998 1.285 . . . . 0.0 111.937 -159.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.69 100.42 2.19 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.61 1.576 . . . . 0.0 114.829 163.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -81.16 140.77 12.56 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.25 2.633 . . . . 0.0 109.952 163.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 26.9 m -134.73 166.95 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.683 1.593 . . . . 0.0 109.904 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -81.7 131.8 35.27 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.33 0.586 . . . . 0.0 110.877 167.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 -97.18 27.35 4.17 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.614 1.966 . . . . 0.0 112.333 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -155.82 153.38 29.68 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 130.082 3.353 . . . . 0.0 108.392 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -91.93 -31.16 15.75 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.409 1.084 . . . . 0.0 113.187 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.48 98.27 10.0 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 123.84 0.856 . . . . 0.0 111.318 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.7 mm -103.61 149.28 7.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.889 1.675 . . . . 0.0 109.915 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 50.0 p -119.75 151.08 39.35 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.971 1.308 . . . . 0.0 112.037 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -134.17 153.93 51.54 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 123.774 0.83 . . . . 0.0 112.618 171.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -135.46 134.98 40.14 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.789 0.835 . . . . 0.0 109.629 171.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 93.8 mt -85.9 110.91 20.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 170.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -65.5 -44.86 85.71 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.985 0.914 . . . . 0.0 111.553 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -154.11 160.3 41.88 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 127.687 2.395 . . . . 0.0 107.837 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -106.02 152.87 22.81 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.489 0.716 . . . . 0.0 110.709 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.2 t -82.16 136.54 46.65 Favored Pre-proline 0 N--CA 1.471 0.585 0 CA-C-O 118.927 -0.559 . . . . 0.0 111.357 173.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -73.88 -8.57 21.45 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 123.735 2.957 . . . . 0.0 113.388 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -67.24 -30.7 70.68 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.15 0.98 . . . . 0.0 112.531 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 98.8 mtp -119.42 163.09 17.74 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.224 1.81 . . . . 0.0 112.591 -169.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -67.32 144.75 55.69 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.454 -0.779 . . . . 0.0 110.298 163.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 82.9 mmt-85 -56.89 -43.52 81.38 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.118 -0.989 . . . . 0.0 112.202 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.95 -18.47 64.09 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 178.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -86.27 -35.22 20.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.1 0.96 . . . . 0.0 111.83 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.51 -44.73 99.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 118.88 0.764 . . . . 0.0 109.785 168.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.87 -50.08 71.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.798 0.839 . . . . 0.0 112.011 174.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -71.69 -33.79 69.11 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -61.48 -49.92 74.83 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.341 0.656 . . . . 0.0 111.33 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 29.8 mm -69.1 -39.84 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 123.028 0.531 . . . . 0.0 111.437 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -60.47 -47.49 85.9 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.183 -0.948 . . . . 0.0 111.668 176.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -68.21 -32.26 72.34 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 118.106 -0.949 . . . . 0.0 112.65 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.25 85.96 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.919 0.888 . . . . 0.0 112.322 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -66.16 -39.67 89.96 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.424 -0.797 . . . . 0.0 112.097 169.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -61.15 -36.98 81.25 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.541 1.064 . . . . 0.0 113.502 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 4.3 t -52.16 -39.73 27.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.543 0.737 . . . . 0.0 111.304 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TRP . . . . . . . . . . . . . 48.5 m95 -88.35 -31.32 18.96 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 94.7 p -75.16 -19.66 59.75 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 120.382 1.447 . . . . 0.0 112.869 175.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -58.63 -25.54 62.81 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 9.1 m -122.15 4.93 5.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.409 1.483 . . . . 0.0 114.603 -166.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 31.3 p -143.91 170.02 9.22 Favored Pre-proline 0 N--CA 1.48 1.041 0 CA-C-N 119.867 1.212 . . . . 0.0 112.507 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -62.92 -7.19 10.85 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.42 2.746 . . . . 0.0 116.239 169.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 63.6 mt -71.01 145.05 50.22 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.671 1.123 . . . . 0.0 112.62 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -121.86 134.55 54.88 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 126.537 1.935 . . . . 0.0 108.232 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -121.44 125.11 46.1 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.649 0.78 . . . . 0.0 111.702 -173.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.1 128.27 41.52 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -75.76 135.91 40.3 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.731 0.813 . . . . 0.0 110.674 172.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 25.8 pt -129.45 155.13 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.599 1.559 . . . . 0.0 110.901 172.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -117.06 -8.72 11.18 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -166.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.5 t -148.59 158.63 44.26 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.199 1.4 . . . . 0.0 110.271 170.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 80.91 -172.37 54.27 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.98 1.276 . . . . 0.0 114.466 -175.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' MET . . . . . . . . . . . . . 56.0 ttm -80.41 136.22 36.31 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.289 1.435 . . . . 0.0 111.07 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -110.23 165.3 11.87 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.365 1.066 . . . . 0.0 111.145 171.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -67.4 -50.71 58.4 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.285 -0.885 . . . . 0.0 109.774 169.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . . . . . . . . . 96.9 mt -113.18 113.44 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.106 1.362 . . . . 0.0 110.181 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 14.0 tp -88.75 129.92 35.45 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.584 -0.698 . . . . 0.0 110.489 168.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . . . . . . . . . 41.0 t -98.61 123.43 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.227 1.411 . . . . 0.0 108.168 169.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 27.8 t -132.48 136.64 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.254 1.022 . . . . 0.0 110.761 -170.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -105.98 130.88 53.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.422 0.556 . . . . 0.0 110.167 165.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -151.46 165.09 35.25 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 124.777 1.231 . . . . 0.0 111.113 -174.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 7.1 ptp85 -137.4 156.86 47.7 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.846 -1.159 . . . . 0.0 111.656 170.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' GLY . . . . . . . . . . . . . . . 54.72 -142.73 33.57 Favored Glycine 0 CA--C 1.536 1.384 0 CA-C-O 122.243 0.913 . . . . 0.0 112.856 -174.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -69.92 125.85 27.95 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.71 -0.876 . . . . 0.0 111.345 172.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -139.27 31.1 2.15 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.045 1.738 . . . . 0.0 113.747 -170.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLY . . . . . . . . . . . . . . . 91.93 11.06 60.68 Favored Glycine 0 CA--C 1.536 1.36 0 N-CA-C 117.897 1.919 . . . . 0.0 117.897 165.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -140.89 169.65 17.22 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.234 1.517 . . . . 0.0 111.825 163.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -69.28 29.23 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -130.86 42.82 3.19 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.07 2.548 . . . . 0.0 110.41 -172.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ALA . . . . . . . . . . . . . . . -56.41 137.12 53.4 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.442 0.697 . . . . 0.0 112.287 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' PHE . . . . . . . . . . . . . 19.1 m-30 -83.27 178.08 8.23 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.834 1.254 . . . . 0.0 110.72 173.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -157.51 31.53 0.28 Allowed 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -142.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 73.62 -173.53 49.45 Favored Glycine 0 N--CA 1.472 1.054 0 O-C-N 120.764 -1.21 . . . . 0.0 113.136 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -57.74 140.14 52.18 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 118.483 1.142 . . . . 0.0 112.071 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 65.81 -165.02 38.19 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.787 -0.525 . . . . 0.0 111.787 -173.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 52.75 -135.66 38.17 Favored Glycine 0 CA--C 1.533 1.173 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 -166.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' ILE . . . . . . . . . . . . . 4.1 mm -59.75 128.16 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 119.058 1.429 . . . . 0.0 111.269 -176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.444 HD21 ' HB2' ' C' ' 57' ' ' GLN . 7.5 mt -107.49 -22.04 12.69 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.552 0.741 . . . . 0.0 112.464 172.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -162.15 170.84 18.4 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.584 1.154 . . . . 0.0 113.024 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -151.05 141.83 22.8 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.75 1.62 . . . . 0.0 111.121 161.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . . . . . . . . . . . -95.69 -176.52 3.76 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.36 1.064 . . . . 0.0 113.179 168.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -135.58 146.57 48.1 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.409 1.884 . . . . 0.0 110.088 159.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -65.13 160.95 42.02 Favored Glycine 0 CA--C 1.541 1.664 0 CA-C-O 119.369 -0.684 . . . . 0.0 113.783 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -47.72 142.08 14.82 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 124.073 3.182 . . . . 0.0 114.422 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 145.93 174.69 18.33 Favored Glycine 0 CA--C 1.528 0.878 0 C-N-CA 124.598 1.094 . . . . 0.0 112.106 -175.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 68.4 p -70.7 162.0 29.81 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -176.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 56.39 -120.04 17.88 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 123.952 0.786 . . . . 0.0 112.971 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 1.8 pp -61.7 -17.21 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 177.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . -56.65 141.99 41.4 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 121.19 -0.944 . . . . 0.0 112.062 171.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' GLY . . . . . . . . . . . . . . . 77.08 -10.23 21.36 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 125.799 1.666 . . . . 0.0 115.979 -173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -83.53 139.45 32.88 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 121.134 2.467 . . . . 0.0 112.834 -164.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ALA . . . . . . . . . . . . . . . -114.04 107.32 15.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.3 1.84 . . . . 0.0 109.998 -173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -102.04 133.39 46.94 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.517 1.527 . . . . 0.0 109.457 -178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -122.81 144.54 49.12 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.094 1.758 . . . . 0.0 110.279 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -84.78 127.95 34.37 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.255 1.026 . . . . 0.0 111.888 -175.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -86.03 -20.14 29.27 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.843 1.257 . . . . 0.0 113.107 -173.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.25 -25.5 67.86 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.402 1.001 . . . . 0.0 112.263 169.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -74.12 155.75 38.11 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 124.022 0.929 . . . . 0.0 111.576 172.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -106.31 97.6 7.38 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 123.31 0.644 . . . . 0.0 111.411 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -73.17 141.93 47.4 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 124.713 1.205 . . . . 0.0 112.74 -175.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' THR . . . . . . . . . . . . . 64.9 p -143.5 156.85 44.74 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 123.451 1.596 . . . . 0.0 113.295 -172.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' THR . . . . . . . . . . . . . 29.5 p -76.26 -18.43 59.0 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.928 1.691 . . . . 0.0 113.478 165.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -127.15 -173.83 3.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.714 1.206 . . . . 0.0 112.624 -153.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' SER . . . . . . . . . . . . . 36.2 p -71.7 -33.79 69.07 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -174.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . -71.26 162.05 54.18 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.001 0.81 . . . . 0.0 113.28 169.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' GLY . . . . . . . . . . . . . . . 70.28 -120.4 9.32 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 124.263 0.935 . . . . 0.0 114.391 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 1.5 m -142.66 101.14 3.81 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.402 1.481 . . . . 0.0 108.617 -170.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -79.62 99.03 7.16 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 120.749 -1.22 . . . . 0.0 112.555 -165.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' LEU . . . . . . . . . . . . . 59.8 tp -55.68 -40.41 72.28 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -171.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -56.88 -49.43 75.56 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.212 0.914 . . . . 0.0 111.963 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 70.8 mt -68.31 -40.31 81.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.002 0.521 . . . . 0.0 112.358 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' THR . . . . . . . . . . . . . 7.0 m -65.57 -43.45 89.77 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 118.621 0.646 . . . . 0.0 111.451 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -63.76 -32.18 73.59 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-O 118.0 -1.0 . . . . 0.0 112.09 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' VAL . . . . . . . . . . . . . 49.2 t -59.11 -42.38 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 120.511 1.505 . . . . 0.0 111.466 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -72.32 -49.59 33.29 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 120.616 1.553 . . . . 0.0 112.543 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -73.6 -35.89 65.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 118.081 -0.962 . . . . 0.0 112.13 -175.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.23 -33.8 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 120.689 1.586 . . . . 0.0 110.076 165.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' GLY . . . . . . . . . . . . . . . -56.72 -42.7 91.47 Favored Glycine 0 CA--C 1.537 1.419 0 O-C-N 120.681 -1.262 . . . . 0.0 112.967 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.11 -34.94 73.73 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.945 -1.326 . . . . 0.0 112.642 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' SER . . . . . . . . . . . . . 38.1 m -61.83 -13.58 25.45 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 120.281 1.401 . . . . 0.0 114.544 168.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.15 -10.05 20.78 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.998 1.719 . . . . 0.0 112.878 171.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . 99.61 18.58 22.85 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.463 1.03 . . . . 0.0 115.308 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' LEU . . . . . . . . . . . . . 45.3 mt -68.71 147.5 51.75 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 119.09 1.445 . . . . 0.0 112.394 174.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -85.19 -132.8 2.75 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 170.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -135.17 144.7 47.16 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.206 1.003 . . . . 0.0 113.086 167.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' SER . . . . . . . . . . . . . 20.7 t -77.54 161.78 27.63 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.317 -0.864 . . . . 0.0 111.434 163.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' SER . . . . . . . . . . . . . 43.8 p -107.24 8.57 29.99 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.181 1.792 . . . . 0.0 113.726 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -103.35 121.17 49.56 Favored Pre-proline 0 CA--C 1.544 0.732 0 C-N-CA 126.534 1.934 . . . . 0.0 111.223 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 237' ' ' PHE . 91.8 Cg_exo -51.56 -17.09 4.21 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 124.135 3.223 . . . . 0.0 117.38 174.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -81.54 -12.68 58.72 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.128 1.158 . . . . 0.0 114.128 175.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' ALA . . . . . . . . . . . . . . . -85.24 148.95 25.82 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -175.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' VAL . . . . . . . . . . . . . 8.1 p -78.62 -31.86 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 121.569 -0.707 . . . . 0.0 111.474 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' MET . . . . . . . . . . . . . 78.7 mmm -83.21 12.84 4.73 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 170.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' PHE . . . . . 0.557 ' CD1' ' HD2' ' A' ' 238' ' ' PRO . 41.9 t80 -65.82 151.46 94.93 Favored Pre-proline 0 CA--C 1.546 0.799 0 O-C-N 120.117 -1.614 . . . . 0.0 109.737 166.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' PRO . . . . . 0.557 ' HD2' ' CD1' ' A' ' 237' ' ' PHE . 45.1 Cg_endo -61.13 15.69 0.04 OUTLIER 'Trans proline' 0 CA--C 1.545 1.064 0 C-N-CA 123.812 3.008 . . . . 0.0 115.379 167.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' THR . . . . . 0.402 HG23 ' CG2' ' D' ' 90' ' ' VAL . 9.0 m -140.59 114.9 9.28 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.019 1.736 . . . . 0.0 111.697 176.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 240' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' D' ' 92' ' ' GLU . 2.4 t80 -66.46 138.54 57.62 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 161.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -120.74 146.51 46.41 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 157.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 242' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -70.85 129.9 40.28 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 118.681 -1.207 . . . . 0.0 108.219 169.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 243' ' ' VAL . . . . . . . . . . . . . 26.7 m -128.49 149.19 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 125.011 1.324 . . . . 0.0 107.71 172.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 244' ' ' ASP . . . . . . . . . . . . . 56.0 t0 -60.54 106.12 0.51 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.88 0.371 . . . . 0.0 110.228 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 245' ' ' ILE . . . . . . . . . . . . . 11.8 pt -61.08 -25.13 35.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -169.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 246' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -65.03 -23.17 67.12 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.838 1.655 . . . . 0.0 113.242 177.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 247' ' ' THR . . . . . . . . . . . . . 70.9 p -120.53 14.83 11.95 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.84 1.256 . . . . 0.0 113.444 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 248' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -51.1 141.32 14.39 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.9 1.28 . . . . 0.0 114.297 -173.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 249' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -141.23 143.48 34.18 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.137 1.775 . . . . 0.0 110.191 168.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 250' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.26 152.97 19.61 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.415 0.686 . . . . 0.0 110.559 161.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' SER . . . . . . . . . . . . . 4.1 p -82.67 159.24 22.68 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.992 -0.443 . . . . 0.0 110.987 167.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 252' ' ' ALA . . . . . . . . . . . . . . . -59.19 -34.92 72.71 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.697 -0.668 . . . . 0.0 112.307 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 253' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.34 -19.31 61.05 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.124 0.97 . . . . 0.0 113.5 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 254' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -79.87 -41.0 27.15 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.97 -1.081 . . . . 0.0 111.251 170.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 255' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.3 -41.71 93.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 C-N-CA 123.197 0.599 . . . . 0.0 110.079 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 256' ' ' ARG . . . . . . . . . . . . . 57.1 mmt-85 -56.51 -44.89 81.19 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.102 0.864 . . . . 0.0 111.078 173.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 257' ' ' GLY . . . . . . . . . . . . . . . -61.74 -57.63 16.74 Favored Glycine 0 C--N 1.337 0.592 0 C-N-CA 124.515 1.055 . . . . 0.0 112.729 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 258' ' ' ILE . . . . . . . . . . . . . 4.0 tp -67.2 -37.11 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 118.025 0.913 . . . . 0.0 111.351 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 259' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -72.06 -11.96 60.99 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 260' ' ' SER . . . . . . . . . . . . . 25.2 p -84.72 -10.13 57.56 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.891 -1.131 . . . . 0.0 113.65 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 261' ' ' LEU . . . . . . . . . . . . . 55.1 mt -109.62 -29.56 8.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.855 1.662 . . . . 0.0 112.203 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 262' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -138.59 133.21 32.22 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.264 1.426 . . . . 0.0 110.974 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 263' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.001 0 C-N-CA 125.175 1.369 . . . . 0.0 113.822 -177.127 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 CA-C-O 118.537 -1.146 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -72.93 128.74 13.48 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 123.351 2.701 . . . . 0.0 112.478 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.95 168.55 44.12 Favored Glycine 0 CA--C 1.535 1.335 0 N-CA-C 115.117 0.807 . . . . 0.0 115.117 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -74.36 162.51 38.24 Favored 'Trans proline' 0 CA--C 1.547 1.168 0 C-N-CA 123.468 2.779 . . . . 0.0 111.047 169.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.0 168.66 47.07 Favored Glycine 0 CA--C 1.543 1.805 0 N-CA-C 114.286 0.475 . . . . 0.0 114.286 170.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.435 ' HA ' HD23 ' B' ' 9' ' ' HYP . 84.8 Cg_exo -55.14 156.85 15.11 Favored 'Trans proline' 0 CA--C 1.548 1.186 0 C-N-CA 124.117 3.211 . . . . 0.0 114.969 176.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' HYP . . . . . 0.435 HD23 ' HA ' ' B' ' 8' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.25 150.12 2.41 Favored Glycine 0 CA--C 1.541 1.657 0 C-N-CA 125.091 1.329 . . . . 0.0 115.178 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -69.46 140.98 45.19 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 CA-C-N 119.574 1.687 . . . . 0.0 110.201 173.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.64 145.87 44.84 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-O 119.761 -0.466 . . . . 0.0 112.33 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.92 152.65 49.2 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.336 2.024 . . . . 0.0 112.548 170.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -60.42 148.41 90.69 Favored 'Trans proline' 0 C--O 1.238 0.516 0 C-N-CA 123.11 2.54 . . . . 0.0 112.919 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -61.69 159.81 30.29 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 123.112 0.387 . . . . 0.0 113.434 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 39.4 t -69.11 145.74 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 121.791 -0.829 . . . . 0.0 111.892 -174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -63.14 144.31 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.872 0.869 . . . . 0.0 110.418 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.0 157.46 26.96 Favored Glycine 0 CA--C 1.541 1.692 0 O-C-N 121.227 -0.921 . . . . 0.0 114.16 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.467 ' C ' HG12 ' D' ' 90' ' ' VAL . 51.8 mt-10 -76.4 -158.04 0.09 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 124.412 1.085 . . . . 0.0 111.292 167.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.93 137.46 44.94 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 114.34 1.237 . . . . 0.0 114.34 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.38 137.77 49.72 Favored Glycine 0 C--N 1.336 0.553 0 C-N-CA 126.633 2.063 . . . . 0.0 114.116 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -58.98 146.06 39.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.713 0.768 . . . . 0.0 110.142 169.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.95 153.85 42.32 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-O 121.367 0.603 . . . . 0.0 111.135 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.4 150.05 50.94 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-N 116.193 -0.458 . . . . 0.0 113.171 -175.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.51 141.83 57.02 Favored 'Trans proline' 0 CA--C 1.552 1.405 0 C-N-CA 121.794 1.662 . . . . 0.0 110.798 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.31 152.0 41.8 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.735 1.16 . . . . 0.0 114.253 -176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.43 145.09 95.68 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.286 1.991 . . . . 0.0 111.292 173.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.6 170.28 32.07 Favored Glycine 0 CA--C 1.542 1.771 0 N-CA-C 114.686 0.635 . . . . 0.0 114.686 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -67.27 154.33 74.45 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 122.987 2.458 . . . . 0.0 112.343 173.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.55 167.49 44.33 Favored Glycine 0 CA--C 1.536 1.362 0 C-N-CA 125.016 1.293 . . . . 0.0 115.349 -171.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -63.1 145.3 93.78 Favored 'Trans proline' 0 CA--C 1.545 1.032 0 C-N-CA 122.666 2.244 . . . . 0.0 112.88 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.796 0 CA-C-O 118.765 -1.02 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -66.92 143.65 67.26 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.019 2.479 . . . . 0.0 113.666 -171.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.96 173.58 53.59 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 123.686 0.66 . . . . 0.0 114.738 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -69.28 164.88 32.38 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.445 2.764 . . . . 0.0 113.67 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.57 167.49 19.47 Favored Glycine 0 CA--C 1.54 1.632 0 O-C-N 122.192 -0.318 . . . . 0.0 113.716 171.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -54.7 155.64 16.96 Favored 'Trans proline' 0 CA--C 1.545 1.06 0 C-N-CA 122.928 2.419 . . . . 0.0 112.15 166.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLY . . . . . . . . . . . . . . . -56.51 156.16 12.78 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.368 0.985 . . . . 0.0 114.539 177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -57.72 152.85 46.55 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.462 2.108 . . . . 0.0 111.591 169.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.37 159.05 53.16 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.676 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.91 155.35 69.86 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 122.221 1.947 . . . . 0.0 111.724 172.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -65.87 158.47 53.71 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 122.399 2.066 . . . . 0.0 111.52 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLY . . . . . . . . . . . . . . . -71.0 152.19 49.9 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.849 0.737 . . . . 0.0 112.37 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' VAL . . . . . . . . . . . . . 5.2 m -79.99 145.75 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 123.904 0.881 . . . . 0.0 111.641 176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 93.4 t -53.86 145.33 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.906 1.282 . . . . 0.0 111.145 176.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.96 -176.49 43.87 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.206 1.384 . . . . 0.0 113.969 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.53 126.35 27.22 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.316 -1.108 . . . . 0.0 113.668 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' GLN . . . . . 0.444 ' HB2' HD21 ' A' ' 181' ' ' LEU . 43.8 tt0 -57.13 142.77 41.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.321 1.448 . . . . 0.0 112.28 174.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.5 145.79 44.59 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 123.346 0.498 . . . . 0.0 113.21 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -72.61 151.82 42.12 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.331 -1.099 . . . . 0.0 113.122 177.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -54.16 137.28 40.99 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.492 1.117 . . . . 0.0 111.583 -178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.71 147.83 39.66 Favored Glycine 0 CA--C 1.536 1.357 0 CA-C-O 119.81 -0.439 . . . . 0.0 112.541 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -56.63 138.37 84.59 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.962 1.774 . . . . 0.0 111.965 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.79 158.72 52.79 Favored Glycine 0 CA--C 1.538 1.497 0 O-C-N 121.865 -0.522 . . . . 0.0 113.669 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -60.82 149.72 86.71 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 122.754 2.302 . . . . 0.0 112.323 172.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.12 171.63 31.66 Favored Glycine 0 CA--C 1.542 1.74 0 N-CA-C 114.612 0.605 . . . . 0.0 114.612 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -62.73 153.37 72.81 Favored 'Trans proline' 0 CA--C 1.542 0.888 0 C-N-CA 123.217 2.611 . . . . 0.0 113.507 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.63 155.36 33.38 Favored Glycine 0 CA--C 1.542 1.759 0 O-C-N 121.498 -0.752 . . . . 0.0 113.894 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -78.04 155.68 29.98 Favored 'Trans proline' 0 CA--C 1.547 1.145 0 C-N-CA 123.249 2.633 . . . . 0.0 112.458 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 CA-C-O 118.522 -1.154 . . . . 0.0 112.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' PRO . . . . . 0.411 ' HA ' HD23 ' D' ' 75' ' ' HYP . 87.8 Cg_exo -58.84 144.23 98.7 Favored 'Trans proline' 0 CA--C 1.551 1.355 0 C-N-CA 124.075 3.184 . . . . 0.0 114.716 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' HYP . . . . . 0.411 HD23 ' HA ' ' D' ' 74' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.01 172.84 2.71 Favored Glycine 0 CA--C 1.551 2.3 0 N-CA-C 119.138 2.415 . . . . 0.0 119.138 161.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 77' ' ' PRO . . . . . 0.447 ' HA ' HD23 ' D' ' 78' ' ' HYP . 52.1 Cg_exo -72.6 133.2 20.07 Favored 'Trans proline' 0 CA--C 1.549 1.244 0 C-N-CA 124.996 3.797 . . . . 0.0 113.511 172.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 78' ' ' HYP . . . . . 0.447 HD23 ' HA ' ' D' ' 77' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.38 150.11 15.42 Favored Glycine 0 CA--C 1.541 1.675 0 C-N-CA 125.615 1.578 . . . . 0.0 115.682 164.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -61.43 144.68 98.31 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.805 2.337 . . . . 0.0 113.061 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.44 158.76 50.83 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 123.375 0.512 . . . . 0.0 113.486 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 83' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -64.47 125.85 15.79 Favored 'Trans proline' 0 CA--C 1.552 1.402 0 C-N-CA 122.402 2.068 . . . . 0.0 112.713 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 84' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.96 166.92 39.67 Favored Glycine 0 CA--C 1.546 1.979 0 N-CA-C 116.873 1.509 . . . . 0.0 116.873 -163.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 86' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' D' ' 87' ' ' PRO . 63.2 Cg_endo -79.45 148.76 21.04 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.95 3.1 . . . . 0.0 111.78 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 87' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' D' ' 86' ' ' PRO . 72.0 Cg_exo -70.78 -177.04 2.0 Allowed 'Trans proline' 0 CA--C 1.554 1.522 0 N-CA-C 119.628 2.895 . . . . 0.0 119.628 -168.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 88' ' ' GLY . . . . . . . . . . . . . . . -57.61 -131.6 0.01 OUTLIER Glycine 0 C--N 1.335 0.519 0 C-N-CA 128.338 2.875 . . . . 0.0 114.831 174.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -179.49 137.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 C-N-CA 129.386 3.074 . . . . 0.0 103.521 167.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 90' ' ' VAL . . . . . 0.467 HG12 ' C ' ' B' ' 20' ' ' GLU . 3.2 m -57.53 145.44 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 121.774 2.079 . . . . 0.0 110.057 -178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.69 140.98 44.89 Favored Glycine 0 N--CA 1.447 -0.581 0 O-C-N 124.166 0.916 . . . . 0.0 111.27 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 92' ' ' GLU . . . . . 0.438 ' HG3' ' CE2' ' A' ' 240' ' ' TYR . 0.5 OUTLIER -27.25 133.07 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 129.424 3.09 . . . . 0.0 114.433 -178.203 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 93' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -52.48 144.55 13.16 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 123.906 0.882 . . . . 0.0 110.594 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 94' ' ' GLY . . . . . . . . . . . . . . . -52.44 151.35 8.0 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 115.384 0.914 . . . . 0.0 115.384 -172.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.07 154.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.556 1.542 . . . . 0.0 112.228 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 96' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -51.38 132.07 29.07 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 114.687 -1.142 . . . . 0.0 110.838 165.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.69 132.87 41.01 Favored Glycine 0 CA--C 1.539 1.543 0 CA-C-O 118.291 -1.283 . . . . 0.0 111.769 169.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 98' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -54.6 137.41 73.34 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.448 2.766 . . . . 0.0 112.081 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 99' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 100' ' ' GLY . . . . . . . . . . . . . . . -59.81 160.95 18.75 Favored Glycine 0 CA--C 1.536 1.378 0 O-C-N 122.351 -0.218 . . . . 0.0 113.366 -177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 101' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -67.54 153.98 74.88 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.044 1.83 . . . . 0.0 110.548 176.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 102' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 103' ' ' GLY . . . . . . . . . . . . . . . -66.33 172.89 25.88 Favored Glycine 0 CA--C 1.541 1.702 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 -174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 104' ' ' PRO . . . . . 0.401 ' HA ' HD23 ' D' ' 105' ' ' HYP . 40.4 Cg_endo -71.04 152.67 62.89 Favored 'Trans proline' 0 CA--C 1.546 1.119 0 C-N-CA 123.335 2.69 . . . . 0.0 112.481 175.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 105' ' ' HYP . . . . . 0.401 HD23 ' HA ' ' D' ' 104' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.54 167.07 41.5 Favored Glycine 0 CA--C 1.543 1.809 0 C-N-CA 125.437 1.494 . . . . 0.0 115.347 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 107' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.12 122.91 5.92 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 C-N-CA 123.471 2.781 . . . . 0.0 113.281 -167.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 108' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 304' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_