data_5lv6_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 5lv6 _Structure_validation_residue.Date_analyzed 2017-03-31 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 ' 634' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -132.28 -38.66 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.1 m -119.44 160.54 41.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.77 2.38 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.6 m -118.27 126.58 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -64.24 133.63 53.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -128.9 -165.94 11.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 78.63 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -129.42 153.04 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.9 133.05 21.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.673 0.749 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -171.08 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.297 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -36.01 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.63 -32.05 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.99 -29.25 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 30.5 m -50.03 -32.25 14.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.62 -32.58 71.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.7 mmt -69.5 -40.59 76.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.71 -56.98 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.35 -36.05 68.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.69 -48.51 74.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.6 -50.37 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.34 -57.55 10.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -42.2 91.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 11.0 mt -49.27 -48.35 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 6.5 mt -67.09 -39.5 86.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.9 t -61.63 -44.97 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.61 -41.33 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.16 89.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.8 -39.36 87.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.9 -49.07 70.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.9 mt -59.45 -56.2 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.88 -61.61 5.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.6 -33.28 32.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.17 -43.37 98.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 37.8 mtp -68.98 -40.65 78.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -63.87 -57.13 10.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -58.73 -54.38 47.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -60.14 135.78 57.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -69.3 172.51 6.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.5 pt -144.95 142.2 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.05 144.27 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -76.08 121.46 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -134.41 128.78 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -132.51 -38.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.1 m -119.46 160.53 41.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 109.99 2.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 m -118.51 126.73 52.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -64.25 133.7 53.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -128.83 -165.89 11.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.447 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 79.0 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -129.0 152.69 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.9 133.13 21.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -171.19 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.292 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -35.74 19.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.41 -31.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.15 -28.74 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 27.3 m -49.9 -32.3 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.33 -32.74 72.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.7 mmt -69.92 -41.14 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.97 -57.64 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.25 -35.76 66.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.74 -48.62 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.86 -50.34 69.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.2 -57.62 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -42.2 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.9 mt -49.32 -48.3 46.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.4 mt -67.06 -39.51 86.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.68 -44.93 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.59 -41.35 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.3 89.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.71 -39.3 87.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.94 -49.08 70.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.9 mt -59.46 -56.15 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.94 -61.59 5.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.62 -33.23 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.25 -43.26 98.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 37.9 mtp -68.98 -40.02 79.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -63.43 -56.71 14.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -58.7 -54.51 46.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -60.49 134.8 57.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -69.06 172.4 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -144.98 141.42 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.49 142.61 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -75.59 121.04 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -133.12 128.1 35.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -130.97 166.34 22.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -131.82 160.52 67.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -175.31 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.6 m -143.64 128.05 17.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -67.77 156.24 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -151.3 70.01 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.61 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.3 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 113.33 17.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 11.4 pt -51.69 155.7 2.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.135 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -170.78 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -36.03 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.62 -32.59 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.27 -28.91 13.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 36.2 m -49.91 -32.49 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.67 -32.8 74.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.6 mmt -69.41 -42.13 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.98 -58.1 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.41 -36.12 62.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.06 -48.61 75.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 58.1 mt -63.74 -49.36 73.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.48 -57.57 10.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -42.03 91.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.38 -48.44 46.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.05 -39.6 86.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.7 t -61.55 -44.91 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 80.2 t -63.75 -41.0 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.98 90.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.02 -39.39 87.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.89 -48.76 73.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.67 -56.09 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.98 -61.49 5.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.66 -33.45 33.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.97 -43.43 98.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 83.8 mmm -74.21 -36.88 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -68.82 -36.47 78.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.2 32.05 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -99.61 124.3 44.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -158.83 172.41 18.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.23 152.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 59.9 t -135.07 133.54 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -118.65 135.04 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -154.02 137.93 16.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 39.5 mtm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.901 0.381 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -130.92 166.39 22.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -131.84 160.53 67.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -174.98 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 m -143.39 127.8 17.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -67.9 156.09 37.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -151.58 69.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -47.71 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.307 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 113.29 17.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 11.5 pt -51.69 155.7 2.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.81 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.51 -35.99 45.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.62 -32.5 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.24 -28.87 12.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 35.4 m -49.93 -32.32 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.57 -32.69 75.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 3.6 mmt -69.72 -42.72 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.13 -57.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.66 -35.97 63.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.26 -48.71 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.72 -49.4 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.5 -57.56 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -42.0 91.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.37 -48.55 46.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 16.7 mt -66.94 -39.54 87.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.57 -45.01 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.73 -40.97 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.1 90.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.93 -39.32 87.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.85 72.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.534 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.58 -56.17 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.109 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.01 -61.46 5.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.68 -33.42 33.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.03 -43.41 98.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 83.9 mmm -73.49 -36.6 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -68.73 -35.9 77.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.16 32.17 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -99.76 123.95 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -159.12 172.41 18.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.15 152.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.01 133.68 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -118.57 135.1 54.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -153.88 138.03 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 39.5 mtm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.67 171.06 13.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.6 m -154.84 160.6 30.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 161.33 46.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.7 m -159.82 154.64 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -176.19 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 143.44 75.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 83.23 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.86 162.01 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 1.2 pp -157.19 159.18 31.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.634 0.73 . . . . 0.0 111.14 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -171.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.21 -33.98 76.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 3.2 mt -50.18 -31.97 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.44 -29.2 15.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 91.1 m -50.16 -32.5 16.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.37 -32.33 79.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.2 mmt -67.46 -42.84 82.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.79 -54.14 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.92 -34.36 71.57 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.79 -49.71 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.22 -48.38 80.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.77 -57.65 10.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -41.65 91.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.0 mt -49.7 -48.34 49.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 7.6 mp -67.16 -39.62 86.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.1 t -61.65 -44.61 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 62.5 t -63.78 -41.71 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.94 88.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.97 -39.29 87.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.88 -49.24 69.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.7 mt -59.35 -56.14 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.86 -61.73 5.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.62 -33.1 31.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.28 -43.39 98.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 44.2 mmm -73.94 -35.92 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -65.63 -35.88 82.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -102.24 34.41 2.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -69.35 -36.72 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -55.84 172.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.23 163.79 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.79 154.62 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -60.35 134.26 56.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -113.34 129.2 56.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.66 171.03 13.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.6 m -155.02 160.52 30.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 161.42 46.01 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.7 m -159.88 154.45 24.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.09 -175.97 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 143.63 74.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 85.16 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.08 161.29 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 1.2 pp -157.72 159.11 30.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.59 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -35.81 75.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 3.2 mt -51.68 -33.08 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.45 -28.9 14.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.083 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 91.6 m -49.85 -32.05 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -65.74 -32.8 84.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.0 mmt -66.83 -45.82 77.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.85 -54.45 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.42 -35.26 71.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.68 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.07 -50.5 73.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.73 -57.65 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -41.61 90.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.74 -48.35 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 7.5 mp -67.12 -39.69 86.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.2 t -61.61 -44.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.86 -41.71 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.99 88.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.01 -39.3 87.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.07 70.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.7 mt -59.53 -56.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 111.132 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.94 -61.62 5.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.65 -33.16 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.32 -43.3 98.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 44.4 mmm -71.26 -36.15 71.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -65.68 -35.73 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -102.91 34.59 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -69.07 -36.02 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -55.25 172.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.9 pt -145.61 164.24 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 31.1 m -65.94 155.44 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -59.33 134.05 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -113.6 129.6 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.79 131.52 7.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.1 m -129.41 160.56 63.62 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.3 62.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 21.2 m -138.62 123.25 18.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -152.76 156.83 39.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 155.2 75.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -46.59 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -107.34 156.59 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 64.3 mt -55.9 132.97 73.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 111.106 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 168.57 21.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.338 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.42 -35.47 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.62 -32.68 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.14 -29.25 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 89.5 m -50.16 -32.25 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.32 -32.1 71.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.5 mmt -69.4 -40.93 77.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.9 t -68.12 -57.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.33 64.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.39 -48.92 71.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 57.7 mt -63.25 -49.93 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.67 -57.69 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -41.68 90.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.9 mt -49.6 -48.65 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 16.1 mt -66.9 -39.51 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.9 t -61.47 -45.24 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 80.8 t -63.53 -40.84 90.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.12 90.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.88 -39.41 87.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.91 -48.91 71.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 7.2 mt -59.49 -56.18 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 111.11 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -61.55 5.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.66 -33.2 32.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.22 -43.56 97.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 51.5 mtm -67.93 -41.57 82.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 65.6 mtp85 -64.09 -55.21 23.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -59.75 -52.91 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -77.05 178.51 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -117.79 172.49 7.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.37 160.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 17.4 m -149.35 146.24 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -67.62 176.66 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -153.39 134.06 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.928 0.394 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.78 131.58 7.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -129.44 160.53 63.85 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.733 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 147.02 62.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 21.3 m -138.88 123.3 18.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -152.74 156.69 39.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 155.16 75.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.8 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.293 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -107.61 156.34 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 64.5 mt -56.1 133.03 74.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.633 0.73 . . . . 0.0 111.11 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 168.54 21.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.46 -35.61 46.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.55 -32.94 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.14 -29.21 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 89.2 m -50.14 -32.28 15.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.35 -32.26 71.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.5 mmt -69.49 -41.1 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.25 -57.09 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.24 -35.6 65.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.24 70.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.87 -50.24 71.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.62 -57.67 9.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -41.67 91.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.9 mt -49.61 -48.54 48.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 16.1 mt -66.97 -39.54 87.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.61 -45.04 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 80.3 t -63.65 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.12 90.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.89 -39.42 87.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.82 -48.93 71.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.54 -56.11 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 111.142 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.0 -61.5 5.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.535 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.63 -33.24 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.19 -43.45 98.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 51.5 mtm -67.59 -41.41 84.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -64.01 -55.34 23.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.02 -53.04 62.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -77.18 178.83 6.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -117.63 172.41 7.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.34 160.15 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 17.4 m -149.17 146.3 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -67.69 176.71 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -153.38 134.03 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.968 0.413 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.44 169.54 41.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.99 160.57 30.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.568 0.699 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 141.73 45.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.1 p -141.67 148.42 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -88.11 170.87 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -146.1 -175.3 19.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -41.57 4.12 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -84.16 126.74 33.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 49.6 mm -56.67 133.03 78.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.645 0.736 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 170.44 16.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -35.9 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.56 -31.5 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.0 -29.0 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 24.2 m -50.1 -32.38 15.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.85 -32.29 73.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.6 mmt -69.19 -41.71 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.91 -58.04 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.92 -34.85 62.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.38 -49.11 70.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 55.7 mt -63.36 -49.43 73.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.63 -57.72 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.59 -41.78 91.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.49 -48.57 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.99 -39.65 87.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.6 t -61.55 -44.56 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.75 -41.81 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.96 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.05 -39.12 86.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.09 69.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.6 mt -59.52 -55.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.07 -61.58 5.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.65 -33.3 33.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.33 98.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 10.7 mtp -68.42 -37.37 80.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -70.44 -59.66 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.01 -58.96 5.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 55.64 36.7 27.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -93.48 172.41 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -145.28 163.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.42 151.36 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -121.5 144.33 48.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -148.43 143.98 27.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.882 0.372 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.53 169.52 41.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.88 160.6 30.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.1 44.29 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.1 p -142.34 148.75 38.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -88.0 169.56 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -147.36 -174.9 19.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.97 5.85 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -82.16 128.95 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 49.7 mm -54.17 133.04 60.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.617 0.722 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 171.37 14.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -35.94 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.47 -32.55 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.11 -29.34 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 27.0 m -50.05 -32.37 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.46 73.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.7 mmt -68.99 -41.4 77.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.5 -57.5 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.95 -34.98 62.4 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.24 -49.21 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 59.3 mt -63.23 -49.51 73.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.56 -57.66 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.6 -41.81 91.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 11.5 mt -49.45 -48.6 47.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 5.8 mt -66.95 -39.66 87.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.61 -44.35 98.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.79 -41.92 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.05 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.0 -39.04 87.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.09 -49.2 68.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.493 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.6 mt -59.35 -55.99 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.05 -61.61 5.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.66 -33.11 32.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.33 -43.25 98.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 10.1 mtp -69.9 -37.87 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -70.39 -60.29 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.84 -58.97 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 55.76 36.27 26.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -94.18 172.44 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -145.27 163.84 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 10.9 p -77.07 150.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -122.03 144.52 48.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -148.17 143.82 27.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.863 0.364 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.01 171.2 43.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.531 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.75 160.51 64.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.564 0.697 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -178.7 2.46 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.9 m -160.33 155.98 25.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -105.11 168.57 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -113.88 -177.72 19.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -48.03 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -77.95 156.44 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 5.2 mp -86.79 133.01 40.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.73 . . . . 0.0 111.132 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -171.09 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -33.63 21.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 48.5 mm -50.38 -31.96 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.33 -28.64 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 56.0 m -48.99 -31.34 7.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -59.79 -33.34 77.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.6 mmt -66.08 -44.68 83.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.23 -54.97 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.86 -33.63 68.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.06 -49.39 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 59.8 mt -59.07 -48.39 81.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.74 -57.68 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -41.64 90.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.6 mt -49.63 -48.57 49.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.99 -39.61 87.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.6 t -61.54 -44.67 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.71 -41.64 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.99 88.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.02 -39.35 87.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.91 -48.93 71.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.56 -56.18 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.79 -61.62 5.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.69 -33.33 33.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.932 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.27 98.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 66.8 mmm -67.25 -48.92 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -56.74 -37.9 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -61.19 -50.26 73.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.88 110.66 16.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -70.89 172.25 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 179.0 132.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 19.5 m -107.91 175.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 -98.03 169.59 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -136.57 144.0 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.943 0.401 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.1 170.97 43.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.0 160.57 63.92 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -178.97 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.9 m -160.49 156.03 25.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -104.74 170.89 7.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -111.52 179.37 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -48.34 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -78.77 153.53 30.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 5.2 mp -90.0 133.08 34.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 111.171 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -171.82 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.18 -35.44 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.5 -32.24 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.64 -27.99 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 59.6 m -49.02 -32.04 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.26 79.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.6 mmt -67.53 -45.57 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 47.0 t -67.22 -54.73 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.38 -33.75 66.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.55 -50.37 63.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.89 -49.23 78.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.66 -57.6 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -41.7 91.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.62 -48.49 49.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.08 -39.62 86.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.7 t -61.53 -44.68 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 63.0 t -63.88 -41.49 92.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.07 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.88 -39.52 87.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.75 -48.96 72.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.48 -56.21 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.92 -61.5 5.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.69 -33.35 33.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.28 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 68.2 mmm -66.75 -47.77 71.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -55.93 -36.35 67.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -59.9 -50.19 74.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.29 110.81 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -70.54 172.21 8.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 179.03 132.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 19.8 m -107.48 173.97 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 21.3 ttp85 -99.15 169.8 9.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -135.7 143.39 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.859 0.362 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -136.94 117.47 1.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -138.76 160.65 62.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -178.12 2.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 8.9 t -127.58 147.96 50.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -152.24 149.4 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -110.42 166.45 12.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -44.11 2.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.32 -178.6 5.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 56.9 mt -98.41 133.01 23.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 111.124 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.629 2.219 . . . . 0.0 112.384 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.97 -35.95 18.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.62 -31.83 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.97 -29.32 11.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 28.1 m -49.96 -32.41 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.33 -32.75 72.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.04 -40.59 78.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.63 -56.26 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.03 -36.65 68.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.37 -49.15 72.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.14 -49.98 73.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.61 -57.59 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -41.92 90.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.5 mt -49.53 -48.58 48.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 9.0 mt -66.8 -39.62 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.7 -44.87 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 62.7 t -63.37 -41.58 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.56 89.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.75 -38.02 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.29 -48.35 70.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.77 -58.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.99 -55.19 12.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -57.04 -31.13 64.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.89 -42.59 90.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.1 mtt -68.13 -41.36 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -65.83 -45.57 81.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -60.14 -52.34 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -141.96 151.85 42.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -113.2 172.4 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.3 142.56 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.9 161.59 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 10.2 ptt85 -99.99 133.31 44.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -111.86 140.33 46.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -136.87 117.78 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -138.56 160.53 63.13 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -178.64 2.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 9.0 t -127.88 148.71 50.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -151.88 149.81 29.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -110.21 165.79 12.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.53 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.26 2.22 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.242 . . . . 0.0 112.37 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.4 -178.85 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 57.5 mt -98.62 133.08 22.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -170.97 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.97 -35.78 18.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.47 -31.43 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.14 -28.89 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.048 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 25.1 m -49.89 -32.19 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.24 -32.92 72.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.433 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.74 -41.92 74.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.96 -57.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.04 -36.02 66.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.05 72.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.97 -50.22 71.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.68 -57.63 10.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.5 -41.78 90.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.59 -48.66 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 8.8 mt -66.81 -39.58 87.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.5 t -61.6 -44.86 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.38 -41.69 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.39 89.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.91 -38.06 85.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.21 -48.4 70.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.5 mt -60.74 -58.52 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.347 . . . . 0.0 111.094 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.93 -55.23 11.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.457 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.6 mp -57.0 -31.14 64.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.9 -42.71 89.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.91 -40.96 83.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -65.45 -45.87 82.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -60.14 -52.38 65.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -141.9 151.83 43.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -113.23 172.45 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.31 142.58 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.97 161.55 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -99.92 133.36 44.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -111.86 140.33 46.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -135.19 106.23 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -146.75 156.56 48.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.584 0.706 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -45.59 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.12 145.88 34.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -118.32 148.37 42.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 147.48 75.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 79.49 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.22 160.11 40.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 45.3 mm -69.18 133.07 89.73 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.612 0.72 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 175.19 8.42 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.71 2.274 . . . . 0.0 112.362 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.07 -36.01 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -58.16 -32.92 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.33 -28.75 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 59.1 m -49.74 -32.18 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.54 -33.4 72.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 1.6 mmt -69.86 -41.51 74.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 22.9 t -67.86 -56.51 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.33 -36.67 70.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.97 73.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.86 -50.86 69.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.3 -57.6 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -42.12 91.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.31 -48.44 46.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.99 -39.56 87.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.63 -44.93 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 74.8 t -63.73 -41.03 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.04 90.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.97 -39.46 87.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.86 -48.87 72.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.59 -56.11 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 111.149 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.97 -61.45 5.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.69 -33.42 34.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.0 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 90.7 mmm -68.41 -36.34 78.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -64.56 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -52.64 -44.9 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -88.12 166.5 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -137.16 172.45 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 14.0 pt -145.29 164.57 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 10.7 m -118.1 163.72 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -57.3 -54.94 41.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -114.92 130.33 56.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -135.18 106.19 0.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -146.58 156.57 48.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -45.59 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.02 145.39 34.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -118.36 148.45 42.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 147.39 75.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 79.55 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.84 160.42 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 44.7 mm -68.93 133.03 90.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.71 . . . . 0.0 111.167 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 175.73 7.74 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.704 2.27 . . . . 0.0 112.306 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -35.98 48.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -58.29 -32.98 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.44 -28.49 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 58.5 m -49.63 -32.29 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.23 -33.71 73.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 1.6 mmt -70.17 -41.94 73.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 23.5 t -67.95 -56.5 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.47 -36.67 71.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.86 74.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.07 -50.75 69.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.38 -57.47 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -42.13 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.8 mt -49.32 -48.62 46.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.83 -39.59 87.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 18.1 t -61.51 -45.02 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 76.3 t -63.67 -40.92 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.85 -41.04 90.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.03 -39.35 86.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.87 -48.92 71.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.54 -56.2 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -61.56 5.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.6 -33.49 33.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.91 -43.52 98.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 90.7 mmm -68.2 -36.24 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -64.59 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -52.17 -44.59 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -88.03 166.33 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -137.2 172.47 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.38 164.53 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 10.8 m -118.0 163.58 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -57.25 -55.0 40.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -115.0 130.31 56.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.946 0.403 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 131.86 113.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -123.45 156.61 63.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.652 0.739 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.69 40.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.308 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -134.13 141.85 47.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -151.54 147.24 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 61.43 166.73 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 145.8 58.1 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -143.25 119.95 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.49 133.08 23.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 179.74 3.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.95 -36.1 28.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.91 -33.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.78 -28.24 14.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 26.2 m -48.95 -32.64 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.96 -35.74 84.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -70.5 -43.5 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.04 -55.4 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.27 -38.84 80.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.48 79.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.7 -51.02 68.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.34 -57.52 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -42.05 91.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.8 mt -49.48 -48.33 47.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.07 -39.63 86.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.2 t -61.66 -44.73 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.6 -41.66 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.15 88.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.76 -39.16 87.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.07 -49.15 68.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.7 mt -59.35 -56.05 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.59 5.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.69 -33.12 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.2 -43.46 98.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 36.0 mmt -68.82 -38.24 79.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -69.11 -51.61 36.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -62.82 -58.43 7.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -62.6 152.9 33.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -63.97 172.51 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.31 140.99 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 40.2 t -51.82 109.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -90.56 -36.31 14.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.84 143.91 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.39 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 131.93 113.3 1.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -123.58 156.56 64.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 139.45 40.16 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.27 . . . . 0.0 112.328 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -134.42 141.9 46.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -151.34 146.97 26.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 61.05 166.09 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 145.44 57.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.397 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -143.67 119.32 10.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 5.2 mp -119.17 133.05 23.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.642 0.734 . . . . 0.0 111.098 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 179.75 3.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.87 -36.07 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.19 -33.09 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.62 -28.3 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.5 m -49.19 -32.49 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.11 -35.17 83.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -70.48 -43.65 69.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.88 -55.6 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.07 -38.89 78.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.48 79.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 56.8 mt -62.7 -50.87 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.38 -57.47 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -41.96 91.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.8 mt -49.41 -48.38 47.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.01 -39.71 87.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.6 t -61.5 -44.92 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 62.9 t -63.57 -41.51 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.18 88.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.79 -39.21 87.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.06 69.96 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.54 -55.97 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 111.101 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.02 -61.64 5.19 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.66 -33.24 32.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.11 -43.35 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 35.8 mmt -67.82 -37.9 82.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -68.3 -50.73 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -62.16 -58.31 8.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -62.15 152.62 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -63.21 172.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.0 pt -145.49 140.93 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.82 109.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -90.42 -36.52 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.97 143.94 46.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 144.6 -135.25 6.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.8 m -116.2 160.58 35.15 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -35.38 12.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.7 m -161.11 149.75 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.76 -175.37 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 162.51 75.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -47.36 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -102.85 159.87 15.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 64.5 mt -97.13 133.07 24.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.734 . . . . 0.0 111.147 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -170.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -34.76 20.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.06 -31.9 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.12 -29.27 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 63.7 m -49.91 -32.62 15.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.8 -32.57 81.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.3 mmt -67.0 -43.51 82.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.87 -54.02 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.91 -34.66 72.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.5 -49.61 68.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.14 -48.7 79.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.53 -57.64 9.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.61 -41.84 91.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 11.0 mt -49.49 -48.49 47.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 18.6 mt -67.01 -39.55 87.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.5 t -61.72 -44.58 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.66 -41.66 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.07 89.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.87 -39.16 87.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.12 69.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.7 mt -59.51 -56.1 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.96 -61.64 5.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -51.57 -33.27 31.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.13 -43.48 98.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 9.3 mtt -72.11 -39.37 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -63.82 -35.9 82.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -101.73 34.33 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -69.14 -37.17 78.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -55.95 172.4 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 14.0 pt -145.5 164.03 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 28.6 m -93.59 148.99 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.67 109.27 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -129.22 108.01 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 144.61 -135.33 6.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.6 m -116.55 160.55 35.87 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.627 0.727 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.07 13.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.7 m -160.44 149.35 17.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.66 -176.02 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 162.35 75.73 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.27 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -102.88 158.8 16.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 64.9 mt -98.68 133.08 22.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.678 0.752 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -171.09 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -35.51 19.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.43 -32.86 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.48 -28.6 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 57.5 m -49.76 -31.84 12.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -64.69 -32.88 85.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.2 mmt -66.99 -46.77 73.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.68 -54.05 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.4 -35.69 73.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.13 -49.81 68.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.96 -50.67 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.72 -57.72 9.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -41.62 90.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 11.2 mt -49.65 -48.59 49.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.96 -39.59 87.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.57 -44.59 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 62.0 t -63.74 -41.64 93.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.0 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.96 -39.25 87.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.06 -48.96 70.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.7 mt -59.52 -56.13 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 111.185 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.97 -61.5 5.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -51.67 -33.4 33.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.02 -43.42 98.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 10.3 mtt -70.38 -38.84 74.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -63.44 -36.06 82.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -101.89 34.29 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -68.05 -36.2 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -55.36 172.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.54 164.67 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 28.0 m -93.02 149.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.14 109.0 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -129.33 108.18 10.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 146.79 -179.29 23.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -146.91 156.59 47.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.02 63.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 18.5 m -140.4 137.81 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -157.16 172.43 18.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -87.54 -174.78 48.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 97.7 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -152.08 140.34 20.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.945 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 5.2 mp -124.46 133.08 24.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 111.065 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.99 -35.6 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.6 mt -51.41 -31.94 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.32 -28.72 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 37.0 m -49.81 -32.27 13.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.63 -33.03 79.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -44.4 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 24.3 t -66.06 -55.24 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.57 -38.17 79.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -62.82 -47.91 81.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.51 -50.36 71.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.4 -57.54 10.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.52 -42.08 91.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.36 -48.66 46.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.75 -39.53 87.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.9 t -61.63 -45.07 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 66.6 t -63.4 -41.32 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.45 90.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.9 -38.19 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.19 -48.19 72.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.8 mt -60.84 -58.62 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 111.142 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -55.12 12.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.513 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.98 -31.33 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.75 -42.59 90.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 14.1 mmt -71.48 -37.63 71.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -58.71 -48.66 80.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -57.62 -38.02 74.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -143.56 113.89 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -92.66 172.46 8.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.23 163.38 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.1 m -110.27 177.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -107.46 165.89 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -114.58 140.94 48.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.924 0.392 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 146.85 -179.45 23.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.432 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -147.28 156.58 46.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 148.49 65.05 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 18.3 m -140.05 137.55 34.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -157.31 172.44 18.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -87.58 -175.56 48.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -152.28 139.33 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 5.2 mp -125.43 133.0 24.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.622 0.725 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -170.82 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.91 -35.49 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.6 mt -51.18 -32.55 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.49 -28.52 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 32.1 m -49.8 -32.02 13.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.17 -32.88 81.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -46.22 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.95 -54.44 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.52 -38.61 81.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.79 77.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 57.5 mt -61.92 -51.28 68.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.5 -57.52 10.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -42.14 91.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 11.3 mt -49.38 -48.62 46.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.69 -39.58 88.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.7 t -61.62 -45.24 99.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 66.5 t -63.19 -41.25 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.51 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.9 -38.1 85.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.24 -48.2 72.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.9 mt -60.78 -58.66 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.85 -55.25 11.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.96 -31.31 64.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.68 -42.64 91.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 14.2 mmt -71.34 -37.88 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -58.41 -48.14 81.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -57.84 -37.71 74.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -143.39 113.61 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -93.34 172.45 8.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.9 pt -145.23 163.39 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 19.8 m -110.89 177.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -107.38 166.26 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -114.4 139.99 49.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -99.78 174.59 26.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.6 p -153.89 156.56 32.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.13 67.96 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.77 147.97 46.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -65.05 -177.82 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -168.4 171.21 42.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.7 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -75.98 174.48 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 58.0 mt -61.66 133.03 93.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.62 -34.93 19.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.13 -32.17 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.15 -28.94 12.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 31.2 m -49.89 -31.82 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.73 -32.81 82.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.562 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.0 mmt -69.41 -45.48 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 22.4 t -66.64 -55.93 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.84 -37.97 63.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.45 -50.63 69.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.05 -49.32 78.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.63 -57.6 10.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.68 -41.74 91.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.56 -48.44 48.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.08 -39.6 86.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.6 t -61.59 -44.65 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 62.5 t -63.74 -41.67 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.0 88.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.93 -39.49 87.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.74 -49.16 70.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.435 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.37 -56.22 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 111.15 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.89 -61.62 5.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.6 -33.29 32.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.366 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.07 -43.39 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.86 -36.47 80.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -64.88 -35.9 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 50.34 31.98 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -36.08 70.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -67.17 172.41 4.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.32 165.05 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.7 m -123.39 171.96 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 32.9 mtp85 -88.63 136.55 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -154.75 130.27 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -99.67 174.6 27.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -153.82 156.54 32.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 154.25 68.09 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.28 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.58 147.66 47.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -65.25 -178.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -168.56 171.12 42.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -170.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -75.92 173.9 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.13 133.02 94.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.72 -35.09 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.32 -32.43 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.28 -28.78 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 29.2 m -49.83 -31.83 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.66 -32.94 82.9 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.9 mmt -69.64 -45.9 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.07 -56.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.77 -38.02 63.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.56 69.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 58.5 mt -59.57 -49.65 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.54 -57.6 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.67 -41.84 91.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.47 -48.53 47.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.05 -39.69 86.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.5 t -61.46 -44.65 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 62.8 t -63.81 -41.56 92.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.95 88.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.0 -39.43 87.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.76 -49.15 70.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.39 -56.17 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.88 -61.76 5.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.5 -33.27 30.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.12 -43.41 98.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.79 -36.51 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -64.65 -36.09 83.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 50.27 32.1 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -36.14 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -67.57 172.38 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.48 165.17 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 32.7 m -123.05 170.27 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -90.59 136.99 32.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -155.07 130.17 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 88.21 153.34 25.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -126.75 160.59 58.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -171.05 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 24.6 p -137.88 136.4 37.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -95.85 143.94 26.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -85.01 -172.42 49.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 84.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -154.88 140.83 18.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 8.1 pt -148.83 155.94 41.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 111.123 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.11 19.72 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -35.72 73.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.37 -33.49 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.62 -28.85 15.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 60.1 m -49.95 -32.6 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.73 -32.99 74.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.436 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 5.7 mmt -69.82 -41.69 74.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.77 -56.68 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.32 -36.29 68.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.549 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.56 -48.74 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 55.9 mt -63.12 -50.67 69.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.34 -57.51 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -42.13 91.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.26 -48.54 45.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 7.8 mt -66.91 -39.67 87.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.9 t -61.49 -44.96 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.61 -41.33 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.99 89.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.03 -39.28 86.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.88 71.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.62 -56.03 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.367 . . . . 0.0 111.129 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.1 -61.42 5.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -51.7 -33.37 33.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.06 -43.49 98.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 2.7 mmm -68.09 -36.61 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.78 -48.57 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -61.42 -56.76 16.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.53 142.13 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -144.66 172.1 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.43 173.24 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.9 m -115.58 150.96 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -71.79 126.45 29.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -78.07 114.43 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.834 0.349 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 88.05 153.49 25.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -126.76 160.54 58.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.704 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -171.46 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.359 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 24.6 p -137.95 136.46 37.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -95.61 143.85 26.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -85.27 -171.81 48.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 85.27 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -155.14 140.31 17.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 8.2 pt -149.22 155.85 39.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 168.8 20.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -35.73 72.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.54 -33.47 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.56 -28.85 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 59.2 m -49.95 -32.73 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.54 -32.84 75.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 5.5 mmt -69.92 -42.2 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.79 -56.54 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.34 -36.32 69.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.55 -48.75 73.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.02 -50.67 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.27 -57.56 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -42.16 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.22 -48.54 45.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 7.8 mt -66.9 -39.64 87.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 18.1 t -61.58 -44.89 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 66.1 t -63.59 -41.34 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.01 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.97 -39.27 87.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.02 -48.96 70.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.9 mt -59.51 -56.1 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.99 -61.56 5.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -51.64 -33.36 33.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.03 -43.64 98.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 2.6 mmm -68.33 -36.0 78.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.5 -48.52 66.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -61.29 -57.3 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.06 147.29 46.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -143.88 172.08 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.38 174.09 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 21.1 m -114.51 151.28 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -71.02 126.45 29.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -77.88 114.7 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.836 0.351 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -162.29 120.18 0.93 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.07 160.1 31.96 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.592 0.71 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 176.3 7.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 6.4 t -167.13 145.5 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -69.48 178.95 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -135.09 176.1 20.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.73 17.93 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -75.97 -176.6 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 57.2 mt -51.69 133.18 36.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 111.108 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -176.26 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 4.8 t -95.52 -35.13 11.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.1 mp -51.55 -32.57 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.35 -28.54 12.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 84.9 m -49.75 -31.61 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -64.92 -32.86 85.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.6 mmt -67.38 -43.57 81.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.01 -55.99 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -52.02 -42.66 54.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.72 68.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.346 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.4 mt -56.79 -48.63 77.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.56 -57.55 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -42.28 91.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 13.1 mt -49.22 -48.72 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.73 -39.45 87.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 18.2 t -61.67 -44.84 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 64.7 t -63.58 -41.19 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.22 90.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.79 -39.12 87.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.97 -49.11 69.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.52 -56.01 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 111.15 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.96 -61.57 5.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.64 -33.38 33.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.2 99.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 19.9 mmt -75.89 -45.21 36.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -59.29 -40.77 87.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -54.5 -44.04 72.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 157.93 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -82.35 172.25 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 16.0 pt -123.28 -31.4 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.44 176.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.93 145.92 49.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -148.33 143.43 26.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -162.89 121.62 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.59 160.48 30.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.717 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.46 4.55 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 6.6 t -165.0 146.26 7.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -67.67 -179.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -132.76 -179.33 16.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -33.26 17.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -77.16 -179.35 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 57.1 mt -54.13 133.02 59.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 111.205 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -178.48 2.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 6.1 t -97.55 -35.44 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.1 mp -51.23 -32.71 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.72 -28.41 14.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 50.1 m -49.94 -32.4 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.52 -32.68 79.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.8 mmt -68.27 -44.14 76.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.74 -57.0 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -52.13 -41.76 54.01 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -61.14 -51.24 69.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 53.3 mt -58.04 -48.07 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -54.44 -57.68 10.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -42.01 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 16.3 mt -49.49 -48.53 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.89 -39.53 87.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 18.4 t -61.52 -45.03 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 65.7 t -63.63 -41.3 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.97 89.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.91 -39.51 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.75 -49.06 71.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.45 -56.36 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.77 -61.51 5.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.7 -33.45 34.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.87 -43.54 98.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 19.7 mmt -77.03 -42.58 37.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -55.04 -35.67 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -51.85 -45.62 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 158.6 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -82.84 172.25 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 16.0 pt -124.51 -31.55 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 33.0 m -75.28 176.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -71.4 147.06 48.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -148.19 143.22 26.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -82.31 -178.58 52.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.9 m -139.03 160.52 62.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -179.67 3.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 15.1 t -125.41 139.14 53.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -115.92 167.01 11.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -132.9 73.0 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.74 41.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -94.53 -178.33 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 71.5 mt -74.56 133.08 77.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -174.93 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.07 -35.17 15.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.32 -33.0 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.45 -28.97 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 50.3 m -50.03 -32.57 15.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.59 -32.58 78.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.9 mmt -68.82 -43.23 76.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.31 -59.03 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.07 -36.3 56.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.1 -49.98 70.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.87 -48.35 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.49 -57.52 10.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -42.17 91.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.6 mt -49.3 -48.72 46.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.68 -39.38 88.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 18.3 t -61.74 -45.28 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 67.2 t -63.12 -41.39 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.74 90.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.68 -38.07 86.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.29 -48.29 71.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.434 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.7 mt -60.67 -58.6 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.876 0.37 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -55.24 11.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.89 -31.27 64.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.76 -42.69 90.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 9.6 mtp -68.52 -49.65 58.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -63.18 -49.83 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 50.24 32.04 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -57.96 -40.59 80.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -60.24 172.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 7.0 tt 179.17 129.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.66 145.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.63 178.97 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -151.8 140.31 20.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.89 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.9 0.381 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -82.25 -178.68 52.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 3.0 m -139.04 160.5 62.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -179.68 3.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.38 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 15.1 t -125.38 139.19 53.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -115.83 166.92 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -132.99 73.44 0.46 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.4 40.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -94.84 -177.9 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 71.4 mt -73.94 133.05 79.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.734 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -175.58 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.49 -34.98 15.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.2 -33.28 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.36 -28.91 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 51.3 m -49.96 -32.52 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.65 -32.54 78.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.8 mmt -69.08 -43.74 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.8 t -67.33 -58.23 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.27 -36.73 57.94 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.11 69.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.62 -48.9 78.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.5 -57.53 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -42.11 91.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.34 -48.79 46.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.64 -39.38 88.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 18.6 t -61.69 -45.35 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 67.4 t -63.13 -41.39 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.67 90.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.6 mp -66.71 -38.07 85.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.22 -48.22 72.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.7 mt -60.83 -58.63 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -55.2 11.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.92 -31.31 64.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.73 -42.66 90.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 9.5 mtp -68.32 -49.56 59.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -63.34 -49.81 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 50.17 32.1 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -58.35 -40.93 83.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -60.81 172.38 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 7.0 tt 179.23 128.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.69 145.59 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.76 178.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -152.09 140.13 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.07 170.26 38.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -151.99 160.5 31.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 160.81 48.34 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.392 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 4.8 t -138.54 140.52 39.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.38 149.53 47.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 161.78 75.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.48 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 0.0 112.328 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.21 179.15 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 5.2 mp -78.02 133.04 65.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 161.29 46.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.394 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 7.8 t -76.46 -36.05 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 46.8 mm -53.67 -34.1 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -53.32 -26.94 20.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 96.6 m -47.92 -32.38 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -61.36 -38.98 96.62 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -44.1 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.55 -57.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.91 -33.47 56.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.7 -52.1 48.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.083 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 59.2 mt -58.16 -48.13 81.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.35 -57.53 10.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -42.28 91.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.18 -48.5 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.96 -39.5 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 18.0 t -61.68 -44.75 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.64 -41.4 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.29 89.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.76 -39.18 87.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.04 -49.12 69.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.4 -56.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.05 -61.56 5.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.59 -33.21 31.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.16 -43.62 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.4 mtt -69.55 -38.69 77.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.33 -53.25 55.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -63.1 -59.18 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -118.93 142.27 47.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -135.89 172.72 12.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.1 pt -145.36 166.83 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 25.6 t -128.74 138.63 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 41.5 ttm-85 -79.28 105.51 10.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.57 136.49 41.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.08 170.26 38.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.15 160.52 31.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.673 0.749 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.63 48.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 4.8 t -138.83 140.57 38.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.23 149.2 47.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 161.43 75.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -45.89 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.9 177.94 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 5.2 mp -79.17 133.0 61.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.621 0.725 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 161.05 47.43 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 7.2 t -76.86 -36.22 56.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 46.6 mm -54.23 -34.14 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -53.51 -26.83 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 96.2 m -48.02 -32.4 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.184 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -61.3 -38.94 96.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -43.93 84.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.12 -57.75 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.04 -33.51 57.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.79 51.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 60.1 mt -58.8 -48.42 81.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.51 -57.61 10.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.58 -42.09 91.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.28 -48.57 45.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 4.3 mt -66.88 -39.6 87.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 18.2 t -61.54 -44.98 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 65.9 t -63.57 -41.27 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.18 89.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.9 -39.26 87.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.9 -49.11 70.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.47 -55.95 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.7 5.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.6 -33.27 32.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.34 98.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 3.3 mtt -67.45 -38.68 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.18 -52.35 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -63.04 -56.63 15.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -116.96 140.69 49.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -136.34 172.51 12.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.9 pt -143.62 169.78 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 26.4 t -130.77 138.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -77.3 106.88 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.67 136.8 39.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 129.48 113.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.5 m -153.32 160.53 30.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.546 0.689 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -48.32 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.296 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.67 153.87 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -157.9 144.71 17.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.14 175.1 27.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -170.56 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -75.89 172.34 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.83 112.26 3.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 111.144 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.79 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 0.0 112.362 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.66 -34.3 40.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -50.86 -31.84 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.3 -29.02 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 55.3 m -49.85 -31.84 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -64.67 -32.34 83.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.39 -47.79 69.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 23.1 t -64.91 -55.06 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.87 -35.42 68.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.0 -49.62 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 58.3 mt -57.99 -48.53 79.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.96 -57.49 10.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.7 -42.02 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 14.2 mt -49.45 -48.39 47.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 18.5 mt -66.95 -39.65 87.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.9 t -61.52 -45.28 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.48 -41.05 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.25 90.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.74 -39.47 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.9 -48.92 71.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.48 -56.28 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 111.121 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -61.51 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.64 -33.32 32.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.04 -43.6 98.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 5.4 mmm -71.59 -39.55 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -62.32 -39.4 92.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -58.49 -43.78 89.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.56 109.96 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -70.15 171.96 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 178.88 134.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 25.8 t -124.64 146.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -75.35 178.32 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -139.25 142.38 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 129.14 113.47 1.68 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.5 m -153.67 160.56 30.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.53 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -158.77 155.93 28.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -155.64 144.92 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.0 174.39 26.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -173.3 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.626 2.218 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -79.19 167.67 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 50.3 mm -58.02 112.52 4.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.162 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -172.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.95 -36.12 31.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 45.8 mm -53.75 -32.64 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.55 -28.19 13.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 46.1 m -49.29 -31.97 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.85 -32.64 80.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.548 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.4 mmt -68.74 -49.07 61.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 22.8 t -65.29 -53.94 34.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.7 -35.9 69.51 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.25 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.58 -49.3 77.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.74 -57.6 10.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.53 -42.01 91.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 13.4 mt -49.48 -48.36 47.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.5 mt -67.05 -39.57 86.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.7 t -61.66 -45.03 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.57 -41.09 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.17 90.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.86 -39.45 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.86 -48.9 72.03 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.54 -56.1 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -61.51 5.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.68 -33.35 33.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.959 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.12 -43.28 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 5.4 mmm -69.9 -37.88 76.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -61.04 -38.27 85.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -57.22 -42.34 81.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.32 110.14 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -69.84 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 178.93 134.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 25.9 t -124.5 145.42 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -75.8 178.86 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -138.85 141.97 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.898 0.38 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 97.85 154.29 29.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -149.8 160.53 33.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.96 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.1 t -124.82 156.01 38.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -100.82 179.6 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 167.59 74.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -99.13 178.03 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 5.0 mp -133.13 133.36 22.98 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.653 0.74 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -168.0 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.234 . . . . 0.0 112.388 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 1.8 t -51.25 -29.19 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 12.8 mt -49.39 -31.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.076 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.88 -28.31 9.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 69.6 m -47.79 -32.18 5.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -55.24 -32.84 57.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.7 mmt -65.67 -55.57 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 66.5 t -56.23 -52.2 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.67 -33.43 77.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.97 -49.36 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 111.096 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.76 -50.18 74.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.52 -57.38 10.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.49 -42.09 91.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.45 -48.49 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.79 -39.61 87.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.72 -44.95 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.55 -40.87 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.37 91.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.72 -39.16 87.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.0 70.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 7.1 mt -59.53 -56.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.11 -61.41 5.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -51.76 -33.24 34.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.07 -43.6 98.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 53.6 mmm -67.62 -36.45 80.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 20.5 mtt-85 -65.3 -36.35 83.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -56.81 -49.3 75.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -37.86 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -54.3 172.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 7.2 tt 179.49 128.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.47 147.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.87 -176.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.28 140.86 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 97.51 153.8 29.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -150.27 160.56 32.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -170.82 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.306 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.1 t -124.68 154.91 40.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.152 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -102.67 -179.15 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 169.05 71.78 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -170.98 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -95.98 179.92 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.54 133.16 24.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -166.93 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 1.8 t -50.77 -29.68 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 12.9 mt -49.35 -30.76 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.01 -27.98 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 78.0 m -47.86 -32.16 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -55.62 -32.94 58.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.7 mmt -65.84 -54.52 25.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 60.9 t -55.29 -52.01 50.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.62 -33.66 78.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.32 -48.85 68.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 64.1 mt -59.4 -49.78 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.59 -57.53 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -41.88 90.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.56 -48.56 48.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 3.2 mt -66.83 -39.57 87.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.61 -45.0 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.6 -41.0 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.24 90.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.81 -39.36 87.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.93 -48.81 72.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.6 -56.13 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 111.147 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.02 -61.38 5.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.76 -33.32 34.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.08 -43.52 98.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 53.5 mmm -67.72 -36.07 79.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -64.67 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 22.9 mmm-85 -58.98 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -38.1 88.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -54.16 172.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 7.0 tt 179.43 127.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.49 147.38 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.08 -178.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.64 141.13 24.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.843 0.354 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -156.21 173.52 34.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.51 156.57 29.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 165.4 31.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 82.2 p -144.59 146.44 32.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -94.95 163.67 13.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -112.9 166.81 12.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -171.73 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -77.56 166.02 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 69.7 mt -70.5 133.06 87.14 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.674 0.75 . . . . 0.0 111.113 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -171.14 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 1.1 t -88.59 -35.85 16.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.42 -34.31 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.27 -28.24 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 96.8 m -49.13 -31.99 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.4 -34.07 83.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 44.1 mmm -70.53 -54.32 12.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.53 -50.89 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.18 -40.35 95.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.04 91.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.57 -49.6 77.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.95 -57.54 10.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -42.05 91.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.45 -48.47 47.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.88 -39.46 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.8 t -61.72 -45.19 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 67.8 t -63.39 -41.12 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.24 90.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.74 -39.36 87.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.85 -49.13 70.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.9 mt -59.39 -56.13 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -61.61 5.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.7 -33.09 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.24 -43.38 98.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 2.8 mmt -67.52 -41.74 83.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.23 -46.51 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 50.34 31.84 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 50.9 ttt-85 -59.64 -42.26 92.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -60.48 172.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.0 tp -179.61 122.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.9 m -120.59 161.97 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 -121.59 172.23 8.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -141.12 117.72 10.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -156.15 173.54 34.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.45 156.54 29.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 165.54 30.65 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.636 2.224 . . . . 0.0 112.348 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 82.2 p -144.32 146.36 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -95.01 163.38 13.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -112.87 167.17 12.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -172.21 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -77.47 165.85 23.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 69.5 mt -71.11 133.05 85.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.351 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 1.1 t -88.72 -36.02 16.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.9 -34.32 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.44 -28.12 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 96.6 m -48.99 -32.21 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.6 -34.28 85.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 42.8 mmm -70.83 -54.01 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.1 -51.05 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.24 95.54 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.0 91.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.55 -49.52 77.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.11 -57.51 10.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.44 -42.11 91.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.49 -48.37 47.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 18.0 mt -66.96 -39.47 87.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.6 t -61.69 -45.16 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 68.2 t -63.44 -41.17 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.3 90.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.71 -39.27 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.92 -49.2 69.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.439 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.36 -56.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.864 0.364 . . . . 0.0 111.127 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.91 -61.78 5.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.5 -33.2 30.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.19 -43.5 98.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 2.8 mmt -69.01 -42.33 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.31 -47.34 73.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 50.24 31.93 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -59.46 -42.13 91.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -59.38 172.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.779 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 2.9 tp -179.75 123.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 20.8 m -120.58 161.2 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -122.13 172.28 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -141.13 117.59 10.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 108.78 172.16 21.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.94 160.51 60.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 164.39 34.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -126.46 138.83 53.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -134.52 148.35 50.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -71.1 -177.66 26.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 85.05 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 146.22 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 26.3 mt -144.46 132.12 10.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.51 -31.46 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 7.2 mt -49.52 -31.41 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.94 -29.3 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 27.3 m -49.71 -33.12 15.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.22 -32.92 76.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.424 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 1.7 mmt -68.81 -43.06 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.73 -58.11 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.59 -33.29 62.35 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.54 70.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.12 -48.85 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.72 -57.61 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -41.59 91.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.61 -48.5 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' LEU . . . . . . . . . . . . . 6.9 mt -67.08 -39.63 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' VAL . . . . . . . . . . . . . 17.5 t -61.48 -44.76 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' VAL . . . . . . . . . . . . . 62.9 t -63.65 -41.74 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.12 87.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.89 -39.28 87.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.08 69.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' ILE . . . . . . . . . . . . . 6.7 mt -59.41 -56.11 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 111.123 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -61.73 5.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.52 -33.27 31.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.17 -43.37 98.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 6.8 mtt -72.25 -47.92 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.97 -56.16 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 50.31 32.04 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -102.19 130.28 48.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -140.69 172.37 12.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.33 168.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.09 141.17 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -86.81 169.48 12.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -91.1 135.1 34.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 108.79 172.26 21.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.82 160.59 60.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.702 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 164.19 35.46 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -126.65 139.14 53.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -134.28 148.0 50.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -71.52 -177.79 27.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 85.88 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 146.12 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 25.9 mt -144.6 132.09 10.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -168.67 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -31.42 15.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 7.2 mt -49.46 -31.6 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.9 -29.32 11.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 27.4 m -49.76 -33.08 15.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.32 -32.79 76.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.445 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 1.6 mmt -68.98 -43.08 75.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 21.5 t -65.73 -58.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.54 -33.4 62.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.72 -49.42 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 111.07 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.25 -48.93 71.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 655' ' ' LEU . . . . . . . . . . . . . 1.8 mp -53.63 -57.67 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 656' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -41.63 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.6 mt -49.77 -48.35 50.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 658' ' ' LEU . . . . . . . . . . . . . 6.8 mt -67.12 -39.62 86.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 659' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.62 -44.67 99.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 660' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.64 -41.73 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.31 -41.13 88.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.048 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 662' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.88 -39.24 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.93 -49.18 69.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 664' ' ' ILE . . . . . . . . . . . . . 6.7 mt -59.42 -56.1 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.121 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.93 -61.72 5.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.6 -33.1 31.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.23 -43.52 97.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 6.8 mtt -72.24 -47.8 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -60.82 -55.94 27.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 50.27 32.17 5.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -101.72 130.52 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -140.21 172.4 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -145.2 168.86 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.44 141.63 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -86.27 169.95 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -90.79 135.01 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -132.28 -38.66 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.1 m -119.44 160.54 41.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.77 2.38 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.6 m -118.27 126.58 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -64.24 133.63 53.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -128.9 -165.94 11.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 78.63 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -129.42 153.04 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.435 HG23 ' HD2' ' A' ' 644' ' ' PRO . 5.2 mp -110.9 133.05 21.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.673 0.749 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.5 Cg_endo -69.77 -171.08 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.297 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -36.01 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.63 -32.05 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.99 -29.25 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 30.5 m -50.03 -32.25 14.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.62 -32.58 71.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.7 mmt -69.5 -40.59 76.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.626 HG12 HD13 ' A' ' 655' ' ' LEU . 21.7 t -67.71 -56.98 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.35 -36.05 68.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.69 -48.51 74.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.6 -50.37 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.34 -57.55 10.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.51 -42.2 91.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 11.0 mt -49.27 -48.35 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.507 ' O ' HD13 ' A' ' 662' ' ' LEU . 6.5 mt -67.09 -39.5 86.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.9 t -61.63 -44.97 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.705 HG12 HD11 ' A' ' 664' ' ' ILE . 66.4 t -63.61 -41.33 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.16 89.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.8 -39.36 87.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.9 -49.07 70.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.705 HD11 HG12 ' A' ' 660' ' ' VAL . 6.9 mt -59.45 -56.2 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.88 -61.61 5.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.6 -33.28 32.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.17 -43.37 98.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 37.8 mtp -68.98 -40.65 78.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -63.87 -57.13 10.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -58.73 -54.38 47.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -60.14 135.78 57.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -69.3 172.51 6.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.5 pt -144.95 142.2 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.05 144.27 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -76.08 121.46 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -134.41 128.78 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -132.51 -38.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.1 m -119.46 160.53 41.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 109.99 2.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 m -118.51 126.73 52.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -64.25 133.7 53.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -128.83 -165.89 11.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.447 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 79.0 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -129.0 152.69 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.421 HG23 ' HD2' ' B' ' 644' ' ' PRO . 5.2 mp -110.9 133.13 21.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.4 Cg_endo -69.82 -171.19 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.292 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -35.74 19.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.41 -31.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.15 -28.74 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 27.3 m -49.9 -32.3 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.33 -32.74 72.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.7 mmt -69.92 -41.14 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.63 HG12 HD13 ' B' ' 655' ' ' LEU . 21.7 t -67.97 -57.64 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.25 -35.76 66.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.74 -48.62 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.86 -50.34 69.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.746 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.2 -57.62 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.436 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.51 -42.2 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.51 HD21 HG21 ' A' ' 660' ' ' VAL . 10.9 mt -49.32 -48.3 46.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 662' ' ' LEU . 6.4 mt -67.06 -39.51 86.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.0 t -61.68 -44.93 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.692 HG12 HD11 ' B' ' 664' ' ' ILE . 66.5 t -63.59 -41.35 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.3 89.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.507 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.71 -39.3 87.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.94 -49.08 70.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.692 HD11 HG12 ' B' ' 660' ' ' VAL . 6.9 mt -59.46 -56.15 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.94 -61.59 5.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.62 -33.23 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.25 -43.26 98.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 37.9 mtp -68.98 -40.02 79.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -63.43 -56.71 14.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -58.7 -54.51 46.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -60.49 134.8 57.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -69.06 172.4 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -144.98 141.42 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.49 142.61 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -75.59 121.04 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -133.12 128.1 35.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -130.97 166.34 22.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -131.82 160.52 67.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -175.31 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.6 m -143.64 128.05 17.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -67.77 156.24 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -151.3 70.01 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.61 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.3 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 113.33 17.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.71 HD12 ' CB ' ' A' ' 647' ' ' ALA . 11.4 pt -51.69 155.7 2.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -170.78 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' SER . . . . . 0.458 ' CB ' ' HG ' ' B' ' 645' ' ' SER . 0.3 OUTLIER -78.46 -36.03 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.849 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.62 -32.59 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.71 ' CB ' HD12 ' A' ' 643' ' ' ILE . . . -51.27 -28.91 13.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 36.2 m -49.91 -32.49 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.67 -32.8 74.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.6 mmt -69.41 -42.13 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.607 HG12 HD13 ' A' ' 655' ' ' LEU . 21.7 t -66.98 -58.1 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.41 -36.12 62.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.06 -48.61 75.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 58.1 mt -63.74 -49.36 73.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.48 -57.57 10.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.59 -42.03 91.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.38 -48.44 46.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 662' ' ' LEU . 16.7 mt -67.05 -39.6 86.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.7 t -61.55 -44.91 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.721 HG12 HD11 ' A' ' 664' ' ' ILE . 80.2 t -63.75 -41.0 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.98 90.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -67.02 -39.39 87.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.89 -48.76 73.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.721 HD11 HG12 ' A' ' 660' ' ' VAL . 7.1 mt -59.67 -56.09 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.98 -61.49 5.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.66 -33.45 33.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.97 -43.43 98.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 83.8 mmm -74.21 -36.88 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -68.82 -36.47 78.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.2 32.05 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -99.61 124.3 44.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -158.83 172.41 18.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.23 152.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 59.9 t -135.07 133.54 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -118.65 135.04 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -154.02 137.93 16.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 39.5 mtm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.901 0.381 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -130.92 166.39 22.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -131.84 160.53 67.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -174.98 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 m -143.39 127.8 17.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -67.9 156.09 37.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -151.58 69.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -47.71 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.307 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 113.29 17.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.716 HD12 ' CB ' ' B' ' 647' ' ' ALA . 11.5 pt -51.69 155.7 2.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.81 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.458 ' HG ' ' CB ' ' A' ' 645' ' ' SER . 0.4 OUTLIER -78.51 -35.99 45.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.62 -32.5 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.716 ' CB ' HD12 ' B' ' 643' ' ' ILE . . . -51.24 -28.87 12.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 35.4 m -49.93 -32.32 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.57 -32.69 75.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 3.6 mmt -69.72 -42.72 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.62 HG12 HD13 ' B' ' 655' ' ' LEU . 21.8 t -67.13 -57.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.66 -35.97 63.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.26 -48.71 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.72 -49.4 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.742 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.5 -57.56 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.43 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.62 -42.0 91.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.37 -48.55 46.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.512 ' O ' HD13 ' B' ' 662' ' ' LEU . 16.7 mt -66.94 -39.54 87.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.0 t -61.57 -45.01 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.695 HG12 HD11 ' B' ' 664' ' ' ILE . 78.9 t -63.73 -40.97 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.1 90.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.93 -39.32 87.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.85 72.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.534 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.695 HD11 HG12 ' B' ' 660' ' ' VAL . 7.1 mt -59.58 -56.17 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.01 -61.46 5.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.471 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.68 -33.42 33.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.03 -43.41 98.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 83.9 mmm -73.49 -36.6 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -68.73 -35.9 77.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.16 32.17 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -99.76 123.95 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -159.12 172.41 18.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.15 152.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.01 133.68 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -118.57 135.1 54.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -153.88 138.03 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 39.5 mtm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.67 171.06 13.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.6 m -154.84 160.6 30.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 161.33 46.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.7 m -159.82 154.64 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -176.19 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 143.44 75.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 83.23 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 643' ' ' ILE . 0.6 OUTLIER -170.86 162.01 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 643' ' ' ILE . 1.2 pp -157.19 159.18 31.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.634 0.73 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -171.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.21 -33.98 76.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 3.2 mt -50.18 -31.97 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.502 ' HB3' HD13 ' A' ' 643' ' ' ILE . . . -51.44 -29.2 15.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 91.1 m -50.16 -32.5 16.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.37 -32.33 79.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.2 mmt -67.46 -42.84 82.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.79 -54.14 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.92 -34.36 71.57 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.79 -49.71 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.22 -48.38 80.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.77 -57.65 10.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.69 -41.65 91.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.621 HD21 HG21 ' B' ' 660' ' ' VAL . 12.0 mt -49.7 -48.34 49.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 662' ' ' LEU . 7.6 mp -67.16 -39.62 86.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.1 t -61.65 -44.61 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.702 HG12 HD11 ' A' ' 664' ' ' ILE . 62.5 t -63.78 -41.71 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.94 88.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.97 -39.29 87.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.88 -49.24 69.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.702 HD11 HG12 ' A' ' 660' ' ' VAL . 6.7 mt -59.35 -56.14 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.86 -61.73 5.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.62 -33.1 31.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.28 -43.39 98.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 44.2 mmm -73.94 -35.92 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -65.63 -35.88 82.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -102.24 34.41 2.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -69.35 -36.72 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -55.84 172.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.23 163.79 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.79 154.62 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -60.35 134.26 56.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -113.34 129.2 56.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.66 171.03 13.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.6 m -155.02 160.52 30.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 161.42 46.01 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.7 m -159.88 154.45 24.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.09 -175.97 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 143.63 74.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 85.16 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 642' ' ' LYS . . . . . 0.464 ' O ' HG23 ' B' ' 643' ' ' ILE . 0.5 OUTLIER -169.08 161.29 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.507 ' O ' HD12 ' B' ' 643' ' ' ILE . 1.2 pp -157.72 159.11 30.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.59 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -35.81 75.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 3.2 mt -51.68 -33.08 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.436 ' HB2' ' HB ' ' B' ' 643' ' ' ILE . . . -51.45 -28.9 14.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.083 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 91.6 m -49.85 -32.05 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -65.74 -32.8 84.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.0 mmt -66.83 -45.82 77.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.555 HG12 HD13 ' B' ' 655' ' ' LEU . 41.5 t -66.85 -54.45 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.42 -35.26 71.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.68 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.07 -50.5 73.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.748 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.73 -57.65 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.63 -41.61 90.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.473 HD21 HG21 ' A' ' 660' ' ' VAL . 11.7 mt -49.74 -48.35 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.515 ' O ' HD13 ' B' ' 662' ' ' LEU . 7.5 mp -67.12 -39.69 86.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.2 t -61.61 -44.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.69 HG12 HD11 ' B' ' 664' ' ' ILE . 62.0 t -63.86 -41.71 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.99 88.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -67.01 -39.3 87.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.07 70.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.69 HD11 HG12 ' B' ' 660' ' ' VAL . 6.7 mt -59.53 -56.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 111.132 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.94 -61.62 5.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.479 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.65 -33.16 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.32 -43.3 98.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 44.4 mmm -71.26 -36.15 71.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -65.68 -35.73 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -102.91 34.59 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -69.07 -36.02 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -55.25 172.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.9 pt -145.61 164.24 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 31.1 m -65.94 155.44 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -59.33 134.05 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -113.6 129.6 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.79 131.52 7.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.1 m -129.41 160.56 63.62 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.3 62.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 21.2 m -138.62 123.25 18.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -152.76 156.83 39.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 155.2 75.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -46.59 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -107.34 156.59 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 644' ' ' PRO . 64.3 mt -55.9 132.97 73.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.3 Cg_endo -69.76 168.57 21.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 645' ' ' SER . . . . . 0.417 ' CB ' ' HG ' ' B' ' 645' ' ' SER . 0.6 OUTLIER -78.42 -35.47 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.62 -32.68 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.14 -29.25 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 89.5 m -50.16 -32.25 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.32 -32.1 71.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.5 mmt -69.4 -40.93 77.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.629 HG12 HD13 ' A' ' 655' ' ' LEU . 21.9 t -68.12 -57.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.33 64.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.39 -48.92 71.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 57.7 mt -63.25 -49.93 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.67 -57.69 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.58 -41.68 90.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.411 HD21 HG21 ' B' ' 660' ' ' VAL . 10.9 mt -49.6 -48.65 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 662' ' ' LEU . 16.1 mt -66.9 -39.51 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.9 t -61.47 -45.24 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 664' ' ' ILE . 80.8 t -63.53 -40.84 90.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.12 90.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.88 -39.41 87.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.91 -48.91 71.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 660' ' ' VAL . 7.2 mt -59.49 -56.18 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -61.55 5.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.66 -33.2 32.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.22 -43.56 97.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 51.5 mtm -67.93 -41.57 82.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 65.6 mtp85 -64.09 -55.21 23.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -59.75 -52.91 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -77.05 178.51 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -117.79 172.49 7.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.37 160.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 17.4 m -149.35 146.24 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -67.62 176.66 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -153.39 134.06 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.928 0.394 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.78 131.58 7.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -129.44 160.53 63.85 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.733 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 147.02 62.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 21.3 m -138.88 123.3 18.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -152.74 156.69 39.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 155.16 75.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.8 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.293 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -107.61 156.34 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.431 HG23 ' HD2' ' B' ' 644' ' ' PRO . 64.5 mt -56.1 133.03 74.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.633 0.73 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.431 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.5 Cg_endo -69.77 168.54 21.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.417 ' HG ' ' CB ' ' A' ' 645' ' ' SER . 0.6 OUTLIER -78.46 -35.61 46.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.55 -32.94 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.14 -29.21 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 89.2 m -50.14 -32.28 15.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.35 -32.26 71.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.5 mmt -69.49 -41.1 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.641 HG12 HD13 ' B' ' 655' ' ' LEU . 21.8 t -68.25 -57.09 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.24 -35.6 65.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.24 70.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.87 -50.24 71.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.755 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.62 -57.67 9.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.425 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.64 -41.67 91.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.9 mt -49.61 -48.54 48.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.51 ' O ' HD13 ' B' ' 662' ' ' LEU . 16.1 mt -66.97 -39.54 87.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.0 t -61.61 -45.04 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.693 HG12 HD11 ' B' ' 664' ' ' ILE . 80.3 t -63.65 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.12 90.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.51 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.89 -39.42 87.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.82 -48.93 71.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.693 HD11 HG12 ' B' ' 660' ' ' VAL . 7.1 mt -59.54 -56.11 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 111.142 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.0 -61.5 5.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.535 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.63 -33.24 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.19 -43.45 98.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 51.5 mtm -67.59 -41.41 84.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -64.01 -55.34 23.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.02 -53.04 62.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -77.18 178.83 6.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -117.63 172.41 7.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.34 160.15 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 17.4 m -149.17 146.3 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -67.69 176.71 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -153.38 134.03 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.968 0.413 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.44 169.54 41.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.99 160.57 30.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.568 0.699 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 141.73 45.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.1 p -141.67 148.42 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -88.11 170.87 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -146.1 -175.3 19.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -41.57 4.12 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -84.16 126.74 33.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.439 HG23 ' HD2' ' A' ' 644' ' ' PRO . 49.6 mm -56.67 133.03 78.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.645 0.736 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 643' ' ' ILE . 54.3 Cg_endo -69.72 170.44 16.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -35.9 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.444 ' HA ' HG21 ' B' ' 648' ' ' THR . 2.9 mt -51.56 -31.5 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.0 -29.0 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 24.2 m -50.1 -32.38 15.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.85 -32.29 73.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.6 mmt -69.19 -41.71 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.618 HG12 HD13 ' A' ' 655' ' ' LEU . 22.1 t -67.91 -58.04 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.92 -34.85 62.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.38 -49.11 70.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 55.7 mt -63.36 -49.43 73.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.763 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.63 -57.72 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.496 HD22 HD11 ' B' ' 657' ' ' LEU . 0.3 OUTLIER -59.59 -41.78 91.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.786 HD21 HG21 ' B' ' 660' ' ' VAL . 11.5 mt -49.49 -48.57 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 662' ' ' LEU . 5.7 mt -66.99 -39.65 87.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.6 t -61.55 -44.56 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.714 HG12 HD11 ' A' ' 664' ' ' ILE . 61.6 t -63.75 -41.81 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.96 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -67.05 -39.12 86.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.09 69.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.714 HD11 HG12 ' A' ' 660' ' ' VAL . 6.6 mt -59.52 -55.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.07 -61.58 5.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.65 -33.3 33.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.33 98.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 10.7 mtp -68.42 -37.37 80.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -70.44 -59.66 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.01 -58.96 5.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 55.64 36.7 27.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -93.48 172.41 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -145.28 163.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.42 151.36 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -121.5 144.33 48.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -148.43 143.98 27.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.882 0.372 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.53 169.52 41.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.88 160.6 30.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.1 44.29 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.1 p -142.34 148.75 38.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -88.0 169.56 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -147.36 -174.9 19.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.97 5.85 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -82.16 128.95 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' B' ' 644' ' ' PRO . 49.7 mm -54.17 133.04 60.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.617 0.722 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.5 Cg_endo -69.73 171.37 14.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -35.94 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.47 -32.55 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.11 -29.34 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 648' ' ' THR . . . . . 0.444 HG21 ' HA ' ' A' ' 646' ' ' ILE . 27.0 m -50.05 -32.37 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.46 73.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.7 mmt -68.99 -41.4 77.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.618 HG12 HD13 ' B' ' 655' ' ' LEU . 21.8 t -67.5 -57.5 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.95 -34.98 62.4 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.24 -49.21 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 59.3 mt -63.23 -49.51 73.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.76 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.56 -57.66 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.482 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.6 -41.81 91.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.496 HD11 HD22 ' A' ' 656' ' ' LEU . 11.5 mt -49.45 -48.6 47.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.509 ' O ' HD13 ' B' ' 662' ' ' LEU . 5.8 mt -66.95 -39.66 87.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.76 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.4 t -61.61 -44.35 98.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.786 HG21 HD21 ' A' ' 657' ' ' LEU . 61.4 t -63.79 -41.92 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.05 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.509 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -67.0 -39.04 87.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.09 -49.2 68.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.493 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.713 HD11 HG12 ' B' ' 660' ' ' VAL . 6.6 mt -59.35 -55.99 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.05 -61.61 5.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.48 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.66 -33.11 32.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.33 -43.25 98.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 10.1 mtp -69.9 -37.87 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -70.39 -60.29 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.84 -58.97 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 55.76 36.27 26.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -94.18 172.44 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -145.27 163.84 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 10.9 p -77.07 150.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -122.03 144.52 48.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -148.17 143.82 27.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.863 0.364 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.01 171.2 43.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.531 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.75 160.51 64.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.564 0.697 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -178.7 2.46 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.9 m -160.33 155.98 25.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -105.11 168.57 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -113.88 -177.72 19.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -48.03 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -77.95 156.44 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.425 HG23 ' HD2' ' A' ' 644' ' ' PRO . 5.2 mp -86.79 133.01 40.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.73 . . . . 0.0 111.132 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.425 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.2 Cg_endo -69.75 -171.09 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -33.63 21.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 48.5 mm -50.38 -31.96 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.33 -28.64 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 56.0 m -48.99 -31.34 7.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -59.79 -33.34 77.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.6 mmt -66.08 -44.68 83.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.23 -54.97 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.86 -33.63 68.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.06 -49.39 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 59.8 mt -59.07 -48.39 81.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.74 -57.68 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.465 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.63 -41.64 90.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.441 HD21 HG21 ' B' ' 660' ' ' VAL . 12.6 mt -49.63 -48.57 49.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 662' ' ' LEU . 9.1 mt -66.99 -39.61 87.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.6 t -61.54 -44.67 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.705 HG12 HD11 ' A' ' 664' ' ' ILE . 61.7 t -63.71 -41.64 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.99 88.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -67.02 -39.35 87.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.91 -48.93 71.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.705 HD11 HG12 ' A' ' 660' ' ' VAL . 6.8 mt -59.56 -56.18 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 111.142 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.79 -61.62 5.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.69 -33.33 33.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.932 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.27 98.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 66.8 mmm -67.25 -48.92 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -56.74 -37.9 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -61.19 -50.26 73.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.88 110.66 16.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -70.89 172.25 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 179.0 132.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 19.5 m -107.91 175.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 -98.03 169.59 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -136.57 144.0 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.943 0.401 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.1 170.97 43.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.0 160.57 63.92 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -178.97 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.9 m -160.49 156.03 25.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -104.74 170.89 7.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -111.52 179.37 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -48.34 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -78.77 153.53 30.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' B' ' 644' ' ' PRO . 5.2 mp -90.0 133.08 34.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 111.171 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.8 Cg_endo -69.8 -171.82 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.18 -35.44 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.5 -32.24 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.64 -27.99 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 59.6 m -49.02 -32.04 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.26 79.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.6 mmt -67.53 -45.57 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.415 HG12 HD13 ' B' ' 655' ' ' LEU . 47.0 t -67.22 -54.73 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.38 -33.75 66.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.55 -50.37 63.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.89 -49.23 78.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.741 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.66 -57.6 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.473 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.66 -41.7 91.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 660' ' ' VAL . 12.4 mt -49.62 -48.49 49.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.506 ' O ' HD13 ' B' ' 662' ' ' LEU . 9.1 mt -67.08 -39.62 86.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.7 t -61.53 -44.68 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.734 HG12 HD11 ' B' ' 664' ' ' ILE . 63.0 t -63.88 -41.49 92.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.07 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.88 -39.52 87.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.75 -48.96 72.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.734 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.48 -56.21 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.92 -61.5 5.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.472 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.69 -33.35 33.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.28 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 68.2 mmm -66.75 -47.77 71.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -55.93 -36.35 67.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -59.9 -50.19 74.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.29 110.81 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -70.54 172.21 8.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 179.03 132.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 19.8 m -107.48 173.97 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 21.3 ttp85 -99.15 169.8 9.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -135.7 143.39 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.859 0.362 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -136.94 117.47 1.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -138.76 160.65 62.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -178.12 2.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 8.9 t -127.58 147.96 50.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -152.24 149.4 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -110.42 166.45 12.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -44.11 2.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.32 -178.6 5.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 644' ' ' PRO . 56.9 mt -98.41 133.01 23.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 111.124 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.8 Cg_endo -69.76 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.629 2.219 . . . . 0.0 112.384 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.97 -35.95 18.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.62 -31.83 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.97 -29.32 11.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 28.1 m -49.96 -32.41 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.33 -32.75 72.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.04 -40.59 78.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.587 HG12 HD13 ' A' ' 655' ' ' LEU . 21.8 t -67.63 -56.26 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.03 -36.65 68.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.37 -49.15 72.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.14 -49.98 73.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.61 -57.59 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.49 -41.92 90.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.5 mt -49.53 -48.58 48.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 662' ' ' LEU . 9.0 mt -66.8 -39.62 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.4 t -61.7 -44.87 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.724 HG12 HD11 ' A' ' 664' ' ' ILE . 62.7 t -63.37 -41.58 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.56 89.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.6 mp -66.75 -38.02 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.29 -48.35 70.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.724 HD11 HG12 ' A' ' 660' ' ' VAL . 6.6 mt -60.77 -58.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.99 -55.19 12.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -57.04 -31.13 64.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.89 -42.59 90.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.1 mtt -68.13 -41.36 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -65.83 -45.57 81.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -60.14 -52.34 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -141.96 151.85 42.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -113.2 172.4 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.3 142.56 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.9 161.59 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 10.2 ptt85 -99.99 133.31 44.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -111.86 140.33 46.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -136.87 117.78 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -138.56 160.53 63.13 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -178.64 2.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 9.0 t -127.88 148.71 50.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -151.88 149.81 29.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -110.21 165.79 12.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.53 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.26 2.22 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.242 . . . . 0.0 112.37 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.4 -178.85 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.42 HG23 ' HD2' ' B' ' 644' ' ' PRO . 57.5 mt -98.62 133.08 22.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.42 ' HD2' HG23 ' B' ' 643' ' ' ILE . 54.2 Cg_endo -69.69 -170.97 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.97 -35.78 18.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.47 -31.43 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.14 -28.89 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.048 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 25.1 m -49.89 -32.19 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.24 -32.92 72.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.433 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.74 -41.92 74.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.618 HG12 HD13 ' B' ' 655' ' ' LEU . 21.7 t -67.96 -57.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.04 -36.02 66.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.05 72.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.97 -50.22 71.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.752 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.68 -57.63 10.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.5 -41.78 90.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.578 HD21 HG21 ' A' ' 660' ' ' VAL . 10.7 mt -49.59 -48.66 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 662' ' ' LEU . 8.8 mt -66.81 -39.58 87.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.5 t -61.6 -44.86 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.708 HG12 HD11 ' B' ' 664' ' ' ILE . 62.1 t -63.38 -41.69 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.39 89.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.502 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.6 mp -66.91 -38.06 85.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.21 -48.4 70.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.708 HD11 HG12 ' B' ' 660' ' ' VAL . 6.5 mt -60.74 -58.52 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.347 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.93 -55.23 11.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.457 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.6 mp -57.0 -31.14 64.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.9 -42.71 89.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.91 -40.96 83.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -65.45 -45.87 82.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -60.14 -52.38 65.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -141.9 151.83 43.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -113.23 172.45 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.31 142.58 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.97 161.55 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -99.92 133.36 44.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -111.86 140.33 46.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -135.19 106.23 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -146.75 156.56 48.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.584 0.706 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -45.59 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.12 145.88 34.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -118.32 148.37 42.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 147.48 75.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 79.49 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.22 160.11 40.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 644' ' ' PRO . 45.3 mm -69.18 133.07 89.73 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.612 0.72 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 643' ' ' ILE . 54.0 Cg_endo -69.75 175.19 8.42 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.71 2.274 . . . . 0.0 112.362 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.07 -36.01 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -58.16 -32.92 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.33 -28.75 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 59.1 m -49.74 -32.18 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.54 -33.4 72.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 1.6 mmt -69.86 -41.51 74.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.637 HG12 HD13 ' A' ' 655' ' ' LEU . 22.9 t -67.86 -56.51 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.33 -36.67 70.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.97 73.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.86 -50.86 69.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.749 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.3 -57.6 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.53 -42.12 91.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.31 -48.44 46.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 662' ' ' LEU . 12.1 mt -66.99 -39.56 87.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 655' ' ' LEU . 18.0 t -61.63 -44.93 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.709 HG12 HD11 ' A' ' 664' ' ' ILE . 74.8 t -63.73 -41.03 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.04 90.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.97 -39.46 87.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.86 -48.87 72.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.709 HD11 HG12 ' A' ' 660' ' ' VAL . 7.1 mt -59.59 -56.11 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 111.149 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.97 -61.45 5.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.69 -33.42 34.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.0 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 90.7 mmm -68.41 -36.34 78.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -64.56 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -52.64 -44.9 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -88.12 166.5 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -137.16 172.45 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 14.0 pt -145.29 164.57 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 10.7 m -118.1 163.72 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -57.3 -54.94 41.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -114.92 130.33 56.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -135.18 106.19 0.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -146.58 156.57 48.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -45.59 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.02 145.39 34.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -118.36 148.45 42.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 147.39 75.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 79.55 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.84 160.42 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' B' ' 644' ' ' PRO . 44.7 mm -68.93 133.03 90.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.71 . . . . 0.0 111.167 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.1 Cg_endo -69.79 175.73 7.74 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.704 2.27 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -35.98 48.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -58.29 -32.98 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.44 -28.49 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 58.5 m -49.63 -32.29 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.23 -33.71 73.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 1.6 mmt -70.17 -41.94 73.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.648 HG12 HD13 ' B' ' 655' ' ' LEU . 23.5 t -67.95 -56.5 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.47 -36.67 71.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.86 74.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.07 -50.75 69.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.761 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.38 -57.47 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.53 -42.13 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.8 mt -49.32 -48.62 46.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.501 ' O ' HD13 ' B' ' 662' ' ' LEU . 12.0 mt -66.83 -39.59 87.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.761 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.1 t -61.51 -45.02 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.706 HG12 HD11 ' B' ' 664' ' ' ILE . 76.3 t -63.67 -40.92 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.85 -41.04 90.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.501 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -67.03 -39.35 86.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.87 -48.92 71.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.706 HD11 HG12 ' B' ' 660' ' ' VAL . 7.1 mt -59.54 -56.2 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -61.56 5.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.471 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.6 -33.49 33.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.91 -43.52 98.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 90.7 mmm -68.2 -36.24 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -64.59 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -52.17 -44.59 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -88.03 166.33 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -137.2 172.47 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.38 164.53 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 10.8 m -118.0 163.58 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -57.25 -55.0 40.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -115.0 130.31 56.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.946 0.403 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 131.86 113.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -123.45 156.61 63.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.652 0.739 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.69 40.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.308 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -134.13 141.85 47.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -151.54 147.24 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 61.43 166.73 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 145.8 58.1 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -143.25 119.95 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.42 HG23 ' HD2' ' A' ' 644' ' ' PRO . 5.2 mp -118.49 133.08 23.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.42 ' HD2' HG23 ' A' ' 643' ' ' ILE . 54.0 Cg_endo -69.78 179.74 3.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 645' ' ' SER . . . . . 0.4 ' CB ' ' HG ' ' B' ' 645' ' ' SER . 0.6 OUTLIER -81.95 -36.1 28.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.91 -33.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.78 -28.24 14.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 26.2 m -48.95 -32.64 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.96 -35.74 84.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -70.5 -43.5 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.612 HG12 HD13 ' A' ' 655' ' ' LEU . 21.6 t -67.04 -55.4 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.27 -38.84 80.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.48 79.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.7 -51.02 68.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.34 -57.52 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.48 -42.05 91.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.803 HD21 HG21 ' B' ' 660' ' ' VAL . 10.8 mt -49.48 -48.33 47.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.508 ' O ' HD13 ' A' ' 662' ' ' LEU . 16.7 mt -67.07 -39.63 86.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.2 t -61.66 -44.73 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.829 HG21 HD21 ' B' ' 657' ' ' LEU . 62.6 t -63.6 -41.66 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.15 88.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.76 -39.16 87.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.07 -49.15 68.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.708 HD11 HG12 ' A' ' 660' ' ' VAL . 6.7 mt -59.35 -56.05 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.59 5.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.69 -33.12 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.2 -43.46 98.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 36.0 mmt -68.82 -38.24 79.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -69.11 -51.61 36.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -62.82 -58.43 7.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -62.6 152.9 33.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -63.97 172.51 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.31 140.99 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 40.2 t -51.82 109.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -90.56 -36.31 14.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.84 143.91 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.39 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 131.93 113.3 1.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -123.58 156.56 64.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 139.45 40.16 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.27 . . . . 0.0 112.328 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -134.42 141.9 46.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -151.34 146.97 26.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 61.05 166.09 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 145.44 57.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.397 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -143.67 119.32 10.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' B' ' 644' ' ' PRO . 5.2 mp -119.17 133.05 23.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.642 0.734 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.4 Cg_endo -69.83 179.75 3.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.4 ' HG ' ' CB ' ' A' ' 645' ' ' SER . 0.6 OUTLIER -81.87 -36.07 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.19 -33.09 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.62 -28.3 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.5 m -49.19 -32.49 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.11 -35.17 83.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -70.48 -43.65 69.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.638 HG12 HD13 ' B' ' 655' ' ' LEU . 21.6 t -66.88 -55.6 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.07 -38.89 78.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.48 79.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 56.8 mt -62.7 -50.87 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.738 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.38 -57.47 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.69 -41.96 91.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.829 HD21 HG21 ' A' ' 660' ' ' VAL . 10.8 mt -49.41 -48.38 47.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 662' ' ' LEU . 16.7 mt -67.01 -39.71 87.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.6 t -61.5 -44.92 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.803 HG21 HD21 ' A' ' 657' ' ' LEU . 62.9 t -63.57 -41.51 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.18 88.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.502 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.79 -39.21 87.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.06 69.96 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.722 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.54 -55.97 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.02 -61.64 5.19 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.475 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.66 -33.24 32.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.11 -43.35 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 35.8 mmt -67.82 -37.9 82.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -68.3 -50.73 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -62.16 -58.31 8.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -62.15 152.62 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -63.21 172.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.0 pt -145.49 140.93 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.82 109.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -90.42 -36.52 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.97 143.94 46.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 144.6 -135.25 6.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.8 m -116.2 160.58 35.15 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -35.38 12.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.7 m -161.11 149.75 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.76 -175.37 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 162.51 75.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -47.36 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -102.85 159.87 15.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.433 HG23 ' HD2' ' A' ' 644' ' ' PRO . 64.5 mt -97.13 133.07 24.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.734 . . . . 0.0 111.147 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.3 Cg_endo -69.78 -170.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -34.76 20.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.06 -31.9 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.12 -29.27 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' THR . . . . . 0.471 HG21 ' HA ' ' B' ' 646' ' ' ILE . 63.7 m -49.91 -32.62 15.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.8 -32.57 81.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.3 mmt -67.0 -43.51 82.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.87 -54.02 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.91 -34.66 72.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.5 -49.61 68.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.14 -48.7 79.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.53 -57.64 9.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.463 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.61 -41.84 91.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.642 HD21 HG21 ' B' ' 660' ' ' VAL . 11.0 mt -49.49 -48.49 47.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.509 ' O ' HD13 ' A' ' 662' ' ' LEU . 18.6 mt -67.01 -39.55 87.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.5 t -61.72 -44.58 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.703 HG12 HD11 ' A' ' 664' ' ' ILE . 61.8 t -63.66 -41.66 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.07 89.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.87 -39.16 87.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.12 69.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.703 HD11 HG12 ' A' ' 660' ' ' VAL . 6.7 mt -59.51 -56.1 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.96 -61.64 5.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.6 mm? -51.57 -33.27 31.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.13 -43.48 98.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 9.3 mtt -72.11 -39.37 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -63.82 -35.9 82.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -101.73 34.33 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -69.14 -37.17 78.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -55.95 172.4 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 14.0 pt -145.5 164.03 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 28.6 m -93.59 148.99 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.67 109.27 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -129.22 108.01 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 144.61 -135.33 6.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.6 m -116.55 160.55 35.87 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.627 0.727 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.07 13.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.7 m -160.44 149.35 17.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.66 -176.02 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 162.35 75.73 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.27 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -102.88 158.8 16.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.433 HG23 ' HD2' ' B' ' 644' ' ' PRO . 64.9 mt -98.68 133.08 22.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.678 0.752 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.4 Cg_endo -69.75 -171.09 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -35.51 19.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.471 ' HA ' HG21 ' A' ' 648' ' ' THR . 2.2 mp -51.43 -32.86 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.48 -28.6 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 57.5 m -49.76 -31.84 12.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -64.69 -32.88 85.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.2 mmt -66.99 -46.77 73.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.578 HG12 HD13 ' B' ' 655' ' ' LEU . 43.8 t -66.68 -54.05 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.4 -35.69 73.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.13 -49.81 68.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.96 -50.67 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.745 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.72 -57.72 9.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.54 -41.62 90.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.532 HD21 HG21 ' A' ' 660' ' ' VAL . 11.2 mt -49.65 -48.59 49.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.506 ' O ' HD13 ' B' ' 662' ' ' LEU . 18.2 mt -66.96 -39.59 87.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.4 t -61.57 -44.59 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.711 HG12 HD11 ' B' ' 664' ' ' ILE . 62.0 t -63.74 -41.64 93.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.0 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.96 -39.25 87.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.06 -48.96 70.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.711 HD11 HG12 ' B' ' 660' ' ' VAL . 6.7 mt -59.52 -56.13 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.97 -61.5 5.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.478 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.6 mm? -51.67 -33.4 33.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.02 -43.42 98.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 10.3 mtt -70.38 -38.84 74.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -63.44 -36.06 82.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -101.89 34.29 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -68.05 -36.2 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -55.36 172.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.54 164.67 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 674' ' ' VAL . . . . . 0.4 HG23 ' HG3' ' B' ' 676' ' ' LYS . 28.0 m -93.02 149.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.14 109.0 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 676' ' ' LYS . . . . . 0.4 ' HG3' HG23 ' B' ' 674' ' ' VAL . 8.3 mtpm? -129.33 108.18 10.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 146.79 -179.29 23.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -146.91 156.59 47.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.02 63.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 18.5 m -140.4 137.81 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -157.16 172.43 18.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -87.54 -174.78 48.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 97.7 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -152.08 140.34 20.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.945 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 644' ' ' PRO . 5.2 mp -124.46 133.08 24.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 111.065 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.4 Cg_endo -69.81 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.99 -35.6 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.6 mt -51.41 -31.94 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.32 -28.72 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 37.0 m -49.81 -32.27 13.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.63 -33.03 79.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -44.4 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.539 HG12 HD13 ' A' ' 655' ' ' LEU . 24.3 t -66.06 -55.24 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.57 -38.17 79.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -62.82 -47.91 81.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.51 -50.36 71.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.4 -57.54 10.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.52 -42.08 91.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.791 HD21 HG21 ' B' ' 660' ' ' VAL . 11.7 mt -49.36 -48.66 46.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.508 ' O ' HD13 ' A' ' 662' ' ' LEU . 12.1 mt -66.75 -39.53 87.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.9 t -61.63 -45.07 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.731 HG12 HD11 ' A' ' 664' ' ' ILE . 66.6 t -63.4 -41.32 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.45 90.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.6 mp -66.9 -38.19 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.19 -48.19 72.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.731 HD11 HG12 ' A' ' 660' ' ' VAL . 6.8 mt -60.84 -58.62 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 111.142 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -55.12 12.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.513 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.98 -31.33 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.75 -42.59 90.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 14.1 mmt -71.48 -37.63 71.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -58.71 -48.66 80.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -57.62 -38.02 74.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -143.56 113.89 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -92.66 172.46 8.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.23 163.38 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.1 m -110.27 177.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -107.46 165.89 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -114.58 140.94 48.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.924 0.392 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 146.85 -179.45 23.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.432 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -147.28 156.58 46.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 148.49 65.05 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 18.3 m -140.05 137.55 34.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -157.31 172.44 18.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -87.58 -175.56 48.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -152.28 139.33 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' B' ' 644' ' ' PRO . 5.2 mp -125.43 133.0 24.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.622 0.725 . . . . 0.0 111.094 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.8 Cg_endo -69.73 -170.82 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.91 -35.49 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.6 mt -51.18 -32.55 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.49 -28.52 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 32.1 m -49.8 -32.02 13.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.17 -32.88 81.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -46.22 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.639 HG12 HD13 ' B' ' 655' ' ' LEU . 24.6 t -66.95 -54.44 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.52 -38.61 81.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.79 77.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 57.5 mt -61.92 -51.28 68.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.739 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.5 -57.52 10.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.44 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.45 -42.14 91.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.713 HD21 HG21 ' A' ' 660' ' ' VAL . 11.3 mt -49.38 -48.62 46.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.506 ' O ' HD13 ' B' ' 662' ' ' LEU . 12.2 mt -66.69 -39.58 88.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.7 t -61.62 -45.24 99.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.791 HG21 HD21 ' A' ' 657' ' ' LEU . 66.5 t -63.19 -41.25 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.51 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.6 mp -66.9 -38.1 85.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.24 -48.2 72.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.735 HD11 HG12 ' B' ' 660' ' ' VAL . 6.9 mt -60.78 -58.66 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.85 -55.25 11.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.96 -31.31 64.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.68 -42.64 91.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 14.2 mmt -71.34 -37.88 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -58.41 -48.14 81.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -57.84 -37.71 74.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -143.39 113.61 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -93.34 172.45 8.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.9 pt -145.23 163.39 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 19.8 m -110.89 177.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -107.38 166.26 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -114.4 139.99 49.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -99.78 174.59 26.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.6 p -153.89 156.56 32.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.13 67.96 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.77 147.97 46.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -65.05 -177.82 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -168.4 171.21 42.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.7 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -75.98 174.48 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 644' ' ' PRO . 58.0 mt -61.66 133.03 93.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.9 Cg_endo -69.77 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 645' ' ' SER . . . . . 0.481 ' CB ' ' HG ' ' B' ' 645' ' ' SER . 0.3 OUTLIER -86.62 -34.93 19.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.13 -32.17 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.15 -28.94 12.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 31.2 m -49.89 -31.82 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.73 -32.81 82.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.562 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.0 mmt -69.41 -45.48 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.495 HG12 HD13 ' A' ' 655' ' ' LEU . 22.4 t -66.64 -55.93 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.84 -37.97 63.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.45 -50.63 69.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.05 -49.32 78.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.63 -57.6 10.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.68 -41.74 91.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.629 HD21 HG21 ' B' ' 660' ' ' VAL . 12.4 mt -49.56 -48.44 48.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 662' ' ' LEU . 4.4 mm? -67.08 -39.6 86.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.6 t -61.59 -44.65 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.728 HG12 HD11 ' A' ' 664' ' ' ILE . 62.5 t -63.74 -41.67 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.0 88.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.93 -39.49 87.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.74 -49.16 70.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.435 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.728 HD11 HG12 ' A' ' 660' ' ' VAL . 6.8 mt -59.37 -56.22 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.89 -61.62 5.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.6 -33.29 32.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.366 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.07 -43.39 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.86 -36.47 80.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -64.88 -35.9 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 50.34 31.98 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -36.08 70.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -67.17 172.41 4.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.32 165.05 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.7 m -123.39 171.96 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 32.9 mtp85 -88.63 136.55 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -154.75 130.27 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -99.67 174.6 27.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -153.82 156.54 32.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 154.25 68.09 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.28 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.58 147.66 47.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -65.25 -178.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -168.56 171.12 42.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -170.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -75.92 173.9 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.419 HG23 ' HD2' ' B' ' 644' ' ' PRO . 57.9 mt -62.13 133.02 94.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.4 Cg_endo -69.78 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.481 ' HG ' ' CB ' ' A' ' 645' ' ' SER . 0.3 OUTLIER -86.72 -35.09 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.32 -32.43 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.28 -28.78 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 29.2 m -49.83 -31.83 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.66 -32.94 82.9 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.9 mmt -69.64 -45.9 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.553 HG12 HD13 ' B' ' 655' ' ' LEU . 22.6 t -67.07 -56.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.77 -38.02 63.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.56 69.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 58.5 mt -59.57 -49.65 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.54 -57.6 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.473 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.67 -41.84 91.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 660' ' ' VAL . 12.4 mt -49.47 -48.53 47.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.521 ' O ' HD13 ' B' ' 662' ' ' LEU . 4.4 mm? -67.05 -39.69 86.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.5 t -61.46 -44.65 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.721 HG12 HD11 ' B' ' 664' ' ' ILE . 62.8 t -63.81 -41.56 92.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.95 88.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -67.0 -39.43 87.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.76 -49.15 70.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.721 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.39 -56.17 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.88 -61.76 5.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.47 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.5 -33.27 30.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.961 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.12 -43.41 98.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.79 -36.51 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -64.65 -36.09 83.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 50.27 32.1 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -36.14 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -67.57 172.38 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.48 165.17 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 32.7 m -123.05 170.27 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -90.59 136.99 32.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -155.07 130.17 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 88.21 153.34 25.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -126.75 160.59 58.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -171.05 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 24.6 p -137.88 136.4 37.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -95.85 143.94 26.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -85.01 -172.42 49.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 84.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -154.88 140.83 18.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.753 HD12 ' HB1' ' A' ' 647' ' ' ALA . 8.1 pt -148.83 155.94 41.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.11 19.72 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -35.72 73.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.37 -33.49 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.753 ' HB1' HD12 ' A' ' 643' ' ' ILE . . . -51.62 -28.85 15.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 60.1 m -49.95 -32.6 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.73 -32.99 74.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.436 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 5.7 mmt -69.82 -41.69 74.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.627 HG12 HD13 ' A' ' 655' ' ' LEU . 21.8 t -67.77 -56.68 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.32 -36.29 68.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.549 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.56 -48.74 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 55.9 mt -63.12 -50.67 69.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.34 -57.51 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.57 -42.13 91.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.26 -48.54 45.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.509 ' O ' HD13 ' A' ' 662' ' ' LEU . 7.8 mt -66.91 -39.67 87.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.9 t -61.49 -44.96 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.703 HG12 HD11 ' A' ' 664' ' ' ILE . 66.4 t -63.61 -41.33 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.99 89.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -67.03 -39.28 86.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.88 71.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.703 HD11 HG12 ' A' ' 660' ' ' VAL . 7.0 mt -59.62 -56.03 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.367 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.1 -61.42 5.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.6 mm? -51.7 -33.37 33.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.06 -43.49 98.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 2.7 mmm -68.09 -36.61 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.78 -48.57 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -61.42 -56.76 16.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.53 142.13 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -144.66 172.1 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' ILE . . . . . 0.519 HD13 ' H ' ' A' ' 673' ' ' ILE . 0.1 OUTLIER -143.43 173.24 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.9 m -115.58 150.96 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -71.79 126.45 29.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -78.07 114.43 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.834 0.349 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 88.05 153.49 25.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -126.76 160.54 58.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.704 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -171.46 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.359 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 24.6 p -137.95 136.46 37.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -95.61 143.85 26.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -85.27 -171.81 48.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 85.27 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -155.14 140.31 17.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.751 HD12 ' HB1' ' B' ' 647' ' ' ALA . 8.2 pt -149.22 155.85 39.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 168.8 20.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -35.73 72.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.54 -33.47 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.751 ' HB1' HD12 ' B' ' 643' ' ' ILE . . . -51.56 -28.85 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 59.2 m -49.95 -32.73 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.54 -32.84 75.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 5.5 mmt -69.92 -42.2 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.625 HG12 HD13 ' B' ' 655' ' ' LEU . 21.8 t -67.79 -56.54 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.34 -36.32 69.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.55 -48.75 73.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.02 -50.67 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.759 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.27 -57.56 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.58 -42.16 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.22 -48.54 45.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.506 ' O ' HD13 ' B' ' 662' ' ' LEU . 7.8 mt -66.9 -39.64 87.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.1 t -61.58 -44.89 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.716 HG12 HD11 ' B' ' 664' ' ' ILE . 66.1 t -63.59 -41.34 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.01 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.97 -39.27 87.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.02 -48.96 70.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.716 HD11 HG12 ' B' ' 660' ' ' VAL . 6.9 mt -59.51 -56.1 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.99 -61.56 5.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.472 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.6 mm? -51.64 -33.36 33.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.03 -43.64 98.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 2.6 mmm -68.33 -36.0 78.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.5 -48.52 66.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -61.29 -57.3 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.06 147.29 46.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -143.88 172.08 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 673' ' ' ILE . . . . . 0.525 HD13 ' H ' ' B' ' 673' ' ' ILE . 0.1 OUTLIER -143.38 174.09 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 21.1 m -114.51 151.28 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -71.02 126.45 29.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -77.88 114.7 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.836 0.351 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -162.29 120.18 0.93 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.07 160.1 31.96 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.592 0.71 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 176.3 7.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 6.4 t -167.13 145.5 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -69.48 178.95 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -135.09 176.1 20.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.73 17.93 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -75.97 -176.6 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' A' ' 644' ' ' PRO . 57.2 mt -51.69 133.18 36.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 111.108 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.8 Cg_endo -69.73 -176.26 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 4.8 t -95.52 -35.13 11.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.1 mp -51.55 -32.57 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.35 -28.54 12.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 84.9 m -49.75 -31.61 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -64.92 -32.86 85.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.6 mmt -67.38 -43.57 81.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.546 HG12 ' CD1' ' A' ' 655' ' ' LEU . 21.3 t -66.01 -55.99 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -52.02 -42.66 54.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.72 68.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.346 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.4 mt -56.79 -48.63 77.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.56 -57.55 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.37 -42.28 91.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.752 HD11 HD22 ' B' ' 656' ' ' LEU . 13.1 mt -49.22 -48.72 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 662' ' ' LEU . 4.3 mm? -66.73 -39.45 87.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 655' ' ' LEU . 18.2 t -61.67 -44.84 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.704 HG12 HD11 ' A' ' 664' ' ' ILE . 64.7 t -63.58 -41.19 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.22 90.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.79 -39.12 87.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.97 -49.11 69.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.704 HD11 HG12 ' A' ' 660' ' ' VAL . 6.8 mt -59.52 -56.01 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.96 -61.57 5.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.64 -33.38 33.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.2 99.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 19.9 mmt -75.89 -45.21 36.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -59.29 -40.77 87.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -54.5 -44.04 72.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 157.93 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -82.35 172.25 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 16.0 pt -123.28 -31.4 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.44 176.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.93 145.92 49.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -148.33 143.43 26.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -162.89 121.62 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.59 160.48 30.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.717 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.46 4.55 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 6.6 t -165.0 146.26 7.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -67.67 -179.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -132.76 -179.33 16.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -33.26 17.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -77.16 -179.35 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.417 HG23 ' HD2' ' B' ' 644' ' ' PRO . 57.1 mt -54.13 133.02 59.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 111.205 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' B' ' 643' ' ' ILE . 54.1 Cg_endo -69.71 -178.48 2.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 6.1 t -97.55 -35.44 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.1 mp -51.23 -32.71 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.72 -28.41 14.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 50.1 m -49.94 -32.4 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.52 -32.68 79.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.8 mmt -68.27 -44.14 76.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' B' ' 655' ' ' LEU . 21.6 t -66.74 -57.0 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -52.13 -41.76 54.01 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -61.14 -51.24 69.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 53.3 mt -58.04 -48.07 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.761 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -54.44 -57.68 10.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 657' ' ' LEU . 0.3 OUTLIER -59.53 -42.01 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.643 HD21 HG21 ' A' ' 660' ' ' VAL . 16.3 mt -49.49 -48.53 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.516 ' O ' HD13 ' B' ' 662' ' ' LEU . 4.3 mm? -66.89 -39.53 87.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.761 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.4 t -61.52 -45.03 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.705 HG12 HD11 ' B' ' 664' ' ' ILE . 65.7 t -63.63 -41.3 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.97 89.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.91 -39.51 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.75 -49.06 71.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.705 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.45 -56.36 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.77 -61.51 5.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.479 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.7 -33.45 34.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.87 -43.54 98.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 19.7 mmt -77.03 -42.58 37.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -55.04 -35.67 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -51.85 -45.62 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 158.6 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -82.84 172.25 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 16.0 pt -124.51 -31.55 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 33.0 m -75.28 176.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -71.4 147.06 48.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -148.19 143.22 26.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -82.31 -178.58 52.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.9 m -139.03 160.52 62.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -179.67 3.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 15.1 t -125.41 139.14 53.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -115.92 167.01 11.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -132.9 73.0 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.74 41.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -94.53 -178.33 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 644' ' ' PRO . 71.5 mt -74.56 133.08 77.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.5 Cg_endo -69.79 -174.93 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.07 -35.17 15.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.32 -33.0 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.45 -28.97 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 50.3 m -50.03 -32.57 15.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.59 -32.58 78.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.9 mmt -68.82 -43.23 76.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.584 HG12 HD13 ' A' ' 655' ' ' LEU . 21.7 t -67.31 -59.03 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.07 -36.3 56.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.1 -49.98 70.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.87 -48.35 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.49 -57.52 10.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.44 -42.17 91.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.6 mt -49.3 -48.72 46.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.513 ' O ' HD13 ' A' ' 662' ' ' LEU . 10.9 mt -66.68 -39.38 88.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 655' ' ' LEU . 18.3 t -61.74 -45.28 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.749 HG12 HD11 ' A' ' 664' ' ' ILE . 67.2 t -63.12 -41.39 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.74 90.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.6 mp -66.68 -38.07 86.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.29 -48.29 71.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.434 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.749 HD11 HG12 ' A' ' 660' ' ' VAL . 6.7 mt -60.67 -58.6 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.876 0.37 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -55.24 11.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.89 -31.27 64.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.76 -42.69 90.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 9.6 mtp -68.52 -49.65 58.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -63.18 -49.83 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 50.24 32.04 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -57.96 -40.59 80.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -60.24 172.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 7.0 tt 179.17 129.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.66 145.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.63 178.97 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -151.8 140.31 20.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.89 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.9 0.381 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -82.25 -178.68 52.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 3.0 m -139.04 160.5 62.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -179.68 3.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.38 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 15.1 t -125.38 139.19 53.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -115.83 166.92 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -132.99 73.44 0.46 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.4 40.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -94.84 -177.9 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' B' ' 644' ' ' PRO . 71.4 mt -73.94 133.05 79.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.734 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' B' ' 643' ' ' ILE . 54.1 Cg_endo -69.75 -175.58 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.49 -34.98 15.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.2 -33.28 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.36 -28.91 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 51.3 m -49.96 -32.52 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.65 -32.54 78.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.8 mmt -69.08 -43.74 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.601 HG12 HD13 ' B' ' 655' ' ' LEU . 21.8 t -67.33 -58.23 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.27 -36.73 57.94 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.11 69.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.62 -48.9 78.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.736 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.5 -57.53 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.442 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.49 -42.11 91.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.34 -48.79 46.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.505 ' O ' HD13 ' B' ' 662' ' ' LEU . 10.9 mt -66.64 -39.38 88.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.6 t -61.69 -45.35 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.729 HG12 HD11 ' B' ' 664' ' ' ILE . 67.4 t -63.13 -41.39 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.67 90.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.505 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.6 mp -66.71 -38.07 85.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.22 -48.22 72.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.729 HD11 HG12 ' B' ' 660' ' ' VAL . 6.7 mt -60.83 -58.63 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -55.2 11.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.92 -31.31 64.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.73 -42.66 90.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 9.5 mtp -68.32 -49.56 59.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -63.34 -49.81 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 50.17 32.1 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -58.35 -40.93 83.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -60.81 172.38 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 7.0 tt 179.23 128.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.69 145.59 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.76 178.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -152.09 140.13 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.07 170.26 38.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -151.99 160.5 31.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 160.81 48.34 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.392 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 4.8 t -138.54 140.52 39.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.38 149.53 47.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 161.78 75.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.48 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 0.0 112.328 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.21 179.15 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.486 ' H ' HD12 ' A' ' 643' ' ' ILE . 5.2 mp -78.02 133.04 65.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 643' ' ' ILE . 54.0 Cg_endo -69.75 161.29 46.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.394 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 7.8 t -76.46 -36.05 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 46.8 mm -53.67 -34.1 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -53.32 -26.94 20.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 96.6 m -47.92 -32.38 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -61.36 -38.98 96.62 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -44.1 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.469 HG12 HD13 ' A' ' 655' ' ' LEU . 46.4 t -67.55 -57.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.91 -33.47 56.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.7 -52.1 48.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.083 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 59.2 mt -58.16 -48.13 81.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.35 -57.53 10.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.49 -42.28 91.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.505 HD21 HG21 ' B' ' 660' ' ' VAL . 12.5 mt -49.18 -48.5 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 662' ' ' LEU . 4.3 mt -66.96 -39.5 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 655' ' ' LEU . 18.0 t -61.68 -44.75 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.708 HG12 HD11 ' A' ' 664' ' ' ILE . 65.5 t -63.64 -41.4 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.29 89.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.76 -39.18 87.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.04 -49.12 69.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.708 HD11 HG12 ' A' ' 660' ' ' VAL . 6.8 mt -59.4 -56.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.05 -61.56 5.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.59 -33.21 31.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.16 -43.62 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.4 mtt -69.55 -38.69 77.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.33 -53.25 55.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -63.1 -59.18 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -118.93 142.27 47.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -135.89 172.72 12.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.1 pt -145.36 166.83 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 25.6 t -128.74 138.63 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 41.5 ttm-85 -79.28 105.51 10.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.57 136.49 41.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.08 170.26 38.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.15 160.52 31.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.673 0.749 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.63 48.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 4.8 t -138.83 140.57 38.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.23 149.2 47.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 161.43 75.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -45.89 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.9 177.94 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.46 ' H ' HD12 ' B' ' 643' ' ' ILE . 5.2 mp -79.17 133.0 61.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.621 0.725 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.431 ' HD2' HG23 ' B' ' 643' ' ' ILE . 54.0 Cg_endo -69.71 161.05 47.43 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 7.2 t -76.86 -36.22 56.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 46.6 mm -54.23 -34.14 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -53.51 -26.83 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 96.2 m -48.02 -32.4 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.184 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -61.3 -38.94 96.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -43.93 84.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.509 HG12 HD13 ' B' ' 655' ' ' LEU . 47.7 t -68.12 -57.75 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.04 -33.51 57.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.79 51.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 60.1 mt -58.8 -48.42 81.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.751 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.51 -57.61 10.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.442 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.58 -42.09 91.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 660' ' ' VAL . 12.5 mt -49.28 -48.57 45.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.516 ' O ' HD13 ' B' ' 662' ' ' LEU . 4.3 mt -66.88 -39.6 87.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.751 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.2 t -61.54 -44.98 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.714 HG12 HD11 ' B' ' 664' ' ' ILE . 65.9 t -63.57 -41.27 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.18 89.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.9 -39.26 87.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.9 -49.11 70.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.714 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.47 -55.95 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.7 5.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.6 -33.27 32.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.34 98.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 3.3 mtt -67.45 -38.68 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.18 -52.35 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -63.04 -56.63 15.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -116.96 140.69 49.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -136.34 172.51 12.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.9 pt -143.62 169.78 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 26.4 t -130.77 138.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -77.3 106.88 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.67 136.8 39.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 129.48 113.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.5 m -153.32 160.53 30.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.546 0.689 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -48.32 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.296 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.67 153.87 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -157.9 144.71 17.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.14 175.1 27.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -170.56 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -75.89 172.34 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.83 112.26 3.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 111.144 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.79 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 0.0 112.362 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' SER . . . . . 0.437 ' CB ' ' HG ' ' B' ' 645' ' ' SER . 0.3 OUTLIER -79.66 -34.3 40.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.852 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -50.86 -31.84 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.3 -29.02 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 55.3 m -49.85 -31.84 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -64.67 -32.34 83.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.39 -47.79 69.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 23.1 t -64.91 -55.06 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.87 -35.42 68.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.0 -49.62 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 58.3 mt -57.99 -48.53 79.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.96 -57.49 10.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.7 -42.02 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.535 ' CD2' HG21 ' B' ' 660' ' ' VAL . 14.2 mt -49.45 -48.39 47.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.508 ' O ' HD13 ' A' ' 662' ' ' LEU . 18.5 mt -66.95 -39.65 87.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.9 t -61.52 -45.28 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.709 HG12 HD11 ' A' ' 664' ' ' ILE . 68.0 t -63.48 -41.05 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.25 90.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.74 -39.47 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.9 -48.92 71.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.709 HD11 HG12 ' A' ' 660' ' ' VAL . 7.1 mt -59.48 -56.28 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -61.51 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.64 -33.32 32.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.04 -43.6 98.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 5.4 mmm -71.59 -39.55 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -62.32 -39.4 92.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -58.49 -43.78 89.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.56 109.96 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -70.15 171.96 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 178.88 134.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' B' ' 675' ' ' ARG . 25.8 t -124.64 146.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -75.35 178.32 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -139.25 142.38 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 129.14 113.47 1.68 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.5 m -153.67 160.56 30.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.53 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -158.77 155.93 28.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -155.64 144.92 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.0 174.39 26.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -173.3 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.626 2.218 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -79.19 167.67 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 50.3 mm -58.02 112.52 4.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.162 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -172.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 645' ' ' SER . . . . . 0.437 ' HG ' ' CB ' ' A' ' 645' ' ' SER . 0.3 OUTLIER -80.95 -36.12 31.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 45.8 mm -53.75 -32.64 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.55 -28.19 13.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 46.1 m -49.29 -31.97 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.85 -32.64 80.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.548 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.4 mmt -68.74 -49.07 61.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.421 HG12 HD13 ' B' ' 655' ' ' LEU . 22.8 t -65.29 -53.94 34.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.7 -35.9 69.51 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.25 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.58 -49.3 77.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.737 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.74 -57.6 10.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.437 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.53 -42.01 91.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 660' ' ' VAL . 13.4 mt -49.48 -48.36 47.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.503 ' O ' HD13 ' B' ' 662' ' ' LEU . 18.5 mt -67.05 -39.57 86.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.7 t -61.66 -45.03 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.724 HG12 HD11 ' B' ' 664' ' ' ILE . 67.7 t -63.57 -41.09 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.17 90.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.503 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.86 -39.45 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.86 -48.9 72.03 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.724 HD11 HG12 ' B' ' 660' ' ' VAL . 7.1 mt -59.54 -56.1 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -61.51 5.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.474 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.68 -33.35 33.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.12 -43.28 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 5.4 mmm -69.9 -37.88 76.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -61.04 -38.27 85.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -57.22 -42.34 81.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.32 110.14 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -69.84 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 178.93 134.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 25.9 t -124.5 145.42 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 675' ' ' ARG . . . . . 0.435 ' HB2' HG13 ' A' ' 674' ' ' VAL . 10.0 mpt_? -75.8 178.86 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -138.85 141.97 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.898 0.38 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 97.85 154.29 29.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -149.8 160.53 33.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.96 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.1 t -124.82 156.01 38.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -100.82 179.6 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 167.59 74.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -99.13 178.03 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.579 ' CG2' ' HB2' ' A' ' 647' ' ' ALA . 5.0 mp -133.13 133.36 22.98 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.653 0.74 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.743 ' HG2' HD12 ' A' ' 646' ' ' ILE . 54.1 Cg_endo -69.78 -168.0 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.234 . . . . 0.0 112.388 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 1.8 t -51.25 -29.19 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.743 HD12 ' HG2' ' A' ' 644' ' ' PRO . 12.8 mt -49.39 -31.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.579 ' HB2' ' CG2' ' A' ' 643' ' ' ILE . . . -50.88 -28.31 9.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 69.6 m -47.79 -32.18 5.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -55.24 -32.84 57.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.7 mmt -65.67 -55.57 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 66.5 t -56.23 -52.2 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.67 -33.43 77.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.97 -49.36 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 111.096 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.76 -50.18 74.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.52 -57.38 10.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.49 -42.09 91.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.45 -48.49 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 662' ' ' LEU . 3.1 mt -66.79 -39.61 87.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.4 t -61.72 -44.95 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.704 HG12 HD11 ' A' ' 664' ' ' ILE . 77.5 t -63.55 -40.87 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.37 91.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.72 -39.16 87.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.0 70.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.704 HD11 HG12 ' A' ' 660' ' ' VAL . 7.1 mt -59.53 -56.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.11 -61.41 5.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.6 mm? -51.76 -33.24 34.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.07 -43.6 98.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 53.6 mmm -67.62 -36.45 80.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 20.5 mtt-85 -65.3 -36.35 83.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -56.81 -49.3 75.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -37.86 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -54.3 172.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 7.2 tt 179.49 128.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.47 147.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.87 -176.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.28 140.86 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 97.51 153.8 29.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -150.27 160.56 32.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -170.82 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.306 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.1 t -124.68 154.91 40.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.152 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -102.67 -179.15 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 169.05 71.78 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -170.98 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -95.98 179.92 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.552 ' CG2' ' HB2' ' B' ' 647' ' ' ALA . 5.0 mp -130.54 133.16 24.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.789 ' HG2' HD12 ' B' ' 646' ' ' ILE . 54.0 Cg_endo -69.76 -166.93 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 1.8 t -50.77 -29.68 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.789 HD12 ' HG2' ' B' ' 644' ' ' PRO . 12.9 mt -49.35 -30.76 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.552 ' HB2' ' CG2' ' B' ' 643' ' ' ILE . . . -51.01 -27.98 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 78.0 m -47.86 -32.16 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -55.62 -32.94 58.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.7 mmt -65.84 -54.52 25.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 60.9 t -55.29 -52.01 50.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.62 -33.66 78.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.32 -48.85 68.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 64.1 mt -59.4 -49.78 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.747 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.59 -57.53 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.43 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.48 -41.88 90.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.476 HD21 HG21 ' A' ' 660' ' ' VAL . 12.5 mt -49.56 -48.56 48.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.511 ' O ' HD13 ' B' ' 662' ' ' LEU . 3.2 mt -66.83 -39.57 87.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.8 t -61.61 -45.0 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.729 HG12 HD11 ' B' ' 664' ' ' ILE . 79.7 t -63.6 -41.0 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.24 90.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.511 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.81 -39.36 87.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.93 -48.81 72.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.729 HD11 HG12 ' B' ' 660' ' ' VAL . 7.0 mt -59.6 -56.13 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.02 -61.38 5.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.47 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.76 -33.32 34.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.08 -43.52 98.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 53.5 mmm -67.72 -36.07 79.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -64.67 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 22.9 mmm-85 -58.98 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -38.1 88.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -54.16 172.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 7.0 tt 179.43 127.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.49 147.38 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.08 -178.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.64 141.13 24.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.843 0.354 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -156.21 173.52 34.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.51 156.57 29.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 165.4 31.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 82.2 p -144.59 146.44 32.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -94.95 163.67 13.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -112.9 166.81 12.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -171.73 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -77.56 166.02 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.419 HG23 ' HD2' ' A' ' 644' ' ' PRO . 69.7 mt -70.5 133.06 87.14 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.674 0.75 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.9 Cg_endo -69.75 -171.14 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 1.1 t -88.59 -35.85 16.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.42 -34.31 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.27 -28.24 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 96.8 m -49.13 -31.99 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.4 -34.07 83.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 44.1 mmm -70.53 -54.32 12.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.53 -50.89 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.18 -40.35 95.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.04 91.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.57 -49.6 77.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.95 -57.54 10.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.51 -42.05 91.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.45 -48.47 47.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 662' ' ' LEU . 18.1 mt -66.88 -39.46 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.8 t -61.72 -45.19 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.719 HG12 HD11 ' A' ' 664' ' ' ILE . 67.8 t -63.39 -41.12 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.24 90.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.74 -39.36 87.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.85 -49.13 70.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 660' ' ' VAL . 6.9 mt -59.39 -56.13 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 111.144 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -61.61 5.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.7 -33.09 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.24 -43.38 98.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 2.8 mmt -67.52 -41.74 83.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.23 -46.51 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 50.34 31.84 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 50.9 ttt-85 -59.64 -42.26 92.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -60.48 172.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.0 tp -179.61 122.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.9 m -120.59 161.97 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 -121.59 172.23 8.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -141.12 117.72 10.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -156.15 173.54 34.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.45 156.54 29.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 165.54 30.65 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.636 2.224 . . . . 0.0 112.348 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 82.2 p -144.32 146.36 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -95.01 163.38 13.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -112.87 167.17 12.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -172.21 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -77.47 165.85 23.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' B' ' 644' ' ' PRO . 69.5 mt -71.11 133.05 85.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' B' ' 643' ' ' ILE . 54.1 Cg_endo -69.8 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.351 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 1.1 t -88.72 -36.02 16.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.9 -34.32 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.406 ' HB2' ' HG2' ' B' ' 644' ' ' PRO . . . -52.44 -28.12 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 96.6 m -48.99 -32.21 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.6 -34.28 85.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 42.8 mmm -70.83 -54.01 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.1 -51.05 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.24 95.54 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.0 91.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.55 -49.52 77.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.747 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -54.11 -57.51 10.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.439 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.44 -42.11 91.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.49 -48.37 47.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.516 ' O ' HD13 ' B' ' 662' ' ' LEU . 18.0 mt -66.96 -39.47 87.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.6 t -61.69 -45.16 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.718 HG12 HD11 ' B' ' 664' ' ' ILE . 68.2 t -63.44 -41.17 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.3 90.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.71 -39.27 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.92 -49.2 69.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.439 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.718 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.36 -56.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.864 0.364 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.91 -61.78 5.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.468 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.5 -33.2 30.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.19 -43.5 98.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 2.8 mmt -69.01 -42.33 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.31 -47.34 73.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 50.24 31.93 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -59.46 -42.13 91.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -59.38 172.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.779 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 2.9 tp -179.75 123.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 20.8 m -120.58 161.2 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -122.13 172.28 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -141.13 117.59 10.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 108.78 172.16 21.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.94 160.51 60.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 164.39 34.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -126.46 138.83 53.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -134.52 148.35 50.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -71.1 -177.66 26.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 85.05 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 146.22 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' ILE . . . . . 0.674 ' CG2' ' HB2' ' A' ' 647' ' ' ALA . 26.3 mt -144.46 132.12 10.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.76 ' HG2' HD12 ' A' ' 646' ' ' ILE . 53.9 Cg_endo -69.78 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.51 -31.46 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 646' ' ' ILE . . . . . 0.76 HD12 ' HG2' ' A' ' 644' ' ' PRO . 7.2 mt -49.52 -31.41 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 647' ' ' ALA . . . . . 0.674 ' HB2' ' CG2' ' A' ' 643' ' ' ILE . . . -50.94 -29.3 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 27.3 m -49.71 -33.12 15.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.22 -32.92 76.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.424 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 1.7 mmt -68.81 -43.06 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 651' ' ' VAL . . . . . 0.668 HG12 HD13 ' A' ' 655' ' ' LEU . 21.6 t -65.73 -58.11 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.59 -33.29 62.35 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.54 70.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.12 -48.85 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.72 -57.61 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.463 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.69 -41.59 91.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 657' ' ' LEU . . . . . 0.441 HD21 HG21 ' B' ' 660' ' ' VAL . 10.7 mt -49.61 -48.5 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 658' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 662' ' ' LEU . 6.9 mt -67.08 -39.63 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 659' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.5 t -61.48 -44.76 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' VAL . . . . . 0.728 HG12 HD11 ' A' ' 664' ' ' ILE . 62.9 t -63.65 -41.74 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.12 87.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.89 -39.28 87.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.08 69.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 664' ' ' ILE . . . . . 0.728 HD11 HG12 ' A' ' 660' ' ' VAL . 6.7 mt -59.41 -56.11 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 111.123 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -61.73 5.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.52 -33.27 31.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.17 -43.37 98.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 6.8 mtt -72.25 -47.92 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.97 -56.16 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 50.31 32.04 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -102.19 130.28 48.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -140.69 172.37 12.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.33 168.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.09 141.17 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -86.81 169.48 12.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -91.1 135.1 34.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 108.79 172.26 21.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.82 160.59 60.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.702 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 164.19 35.46 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -126.65 139.14 53.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -134.28 148.0 50.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -71.52 -177.79 27.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 85.88 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 146.12 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 643' ' ' ILE . . . . . 0.666 ' CG2' ' HB2' ' B' ' 647' ' ' ALA . 25.9 mt -144.6 132.09 10.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 644' ' ' PRO . . . . . 0.766 ' HG2' HD12 ' B' ' 646' ' ' ILE . 53.9 Cg_endo -69.74 -168.67 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -31.42 15.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 646' ' ' ILE . . . . . 0.766 HD12 ' HG2' ' B' ' 644' ' ' PRO . 7.2 mt -49.46 -31.6 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 647' ' ' ALA . . . . . 0.666 ' HB2' ' CG2' ' B' ' 643' ' ' ILE . . . -50.9 -29.32 11.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 27.4 m -49.76 -33.08 15.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.32 -32.79 76.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.445 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 1.6 mmt -68.98 -43.08 75.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 651' ' ' VAL . . . . . 0.661 HG12 HD13 ' B' ' 655' ' ' LEU . 21.5 t -65.73 -58.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.54 -33.4 62.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.72 -49.42 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 111.07 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.25 -48.93 71.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 655' ' ' LEU . . . . . 0.739 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.63 -57.67 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 656' ' ' LEU . . . . . 0.475 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.63 -41.63 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 657' ' ' LEU . . . . . 0.452 HD21 HG21 ' A' ' 660' ' ' VAL . 10.6 mt -49.77 -48.35 50.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 658' ' ' LEU . . . . . 0.515 ' O ' HD13 ' B' ' 662' ' ' LEU . 6.8 mt -67.12 -39.62 86.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 659' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.4 t -61.62 -44.67 99.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 660' ' ' VAL . . . . . 0.71 HG12 HD11 ' B' ' 664' ' ' ILE . 62.6 t -63.64 -41.73 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.31 -41.13 88.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.048 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 662' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.88 -39.24 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.93 -49.18 69.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 664' ' ' ILE . . . . . 0.71 HD11 HG12 ' B' ' 660' ' ' VAL . 6.7 mt -59.42 -56.1 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.93 -61.72 5.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 666' ' ' LEU . . . . . 0.473 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.6 -33.1 31.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.925 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.23 -43.52 97.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 6.8 mtt -72.24 -47.8 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -60.82 -55.94 27.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 50.27 32.17 5.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -101.72 130.52 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -140.21 172.4 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -145.2 168.86 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.44 141.63 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -86.27 169.95 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -90.79 135.01 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -132.28 -38.66 0.24 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.524 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.1 m -119.44 160.54 41.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.623 0.725 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.77 2.38 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.682 2.254 . . . . 0.0 112.374 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.6 m -118.27 126.58 52.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -64.24 133.63 53.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -128.9 -165.94 11.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 78.63 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -129.42 153.04 48.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.435 HG23 ' HD2' ' A' ' 644' ' ' PRO . 5.2 mp -110.9 133.05 21.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.673 0.749 . . . . 0.0 111.104 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.5 Cg_endo -69.77 -171.08 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.723 2.282 . . . . 0.0 112.297 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.94 -36.01 18.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.63 -32.05 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.99 -29.25 11.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 30.5 m -50.03 -32.25 14.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.62 -32.58 71.05 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.7 mmt -69.5 -40.59 76.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.813 0.34 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.626 HG12 HD13 ' A' ' 655' ' ' LEU . 21.7 t -67.71 -56.98 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.35 -36.05 68.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.69 -48.51 74.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.6 -50.37 69.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.34 -57.55 10.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.51 -42.2 91.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.914 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 11.0 mt -49.27 -48.35 45.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.507 ' O ' HD13 ' A' ' 662' ' ' LEU . 6.5 mt -67.09 -39.5 86.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.9 t -61.63 -44.97 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.187 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.705 HG12 HD11 ' A' ' 664' ' ' ILE . 66.4 t -63.61 -41.33 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.16 89.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.8 -39.36 87.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.9 -49.07 70.35 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.705 HD11 HG12 ' A' ' 660' ' ' VAL . 6.9 mt -59.45 -56.2 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.849 0.357 . . . . 0.0 111.108 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.88 -61.61 5.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.6 -33.28 32.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.17 -43.37 98.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 37.8 mtp -68.98 -40.65 78.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -63.87 -57.13 10.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -58.73 -54.38 47.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -60.14 135.78 57.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -69.3 172.51 6.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.5 pt -144.95 142.2 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.05 144.27 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -76.08 121.46 22.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -134.41 128.78 34.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -132.51 -38.7 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.498 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.1 m -119.46 160.53 41.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 109.99 2.43 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.36 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 m -118.51 126.73 52.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -64.25 133.7 53.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -128.83 -165.89 11.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.447 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 79.0 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -129.0 152.69 48.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.904 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.421 HG23 ' HD2' ' B' ' 644' ' ' PRO . 5.2 mp -110.9 133.13 21.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.421 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.4 Cg_endo -69.82 -171.19 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 0.0 112.292 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -35.74 19.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.41 -31.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.136 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.15 -28.74 11.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 27.3 m -49.9 -32.3 14.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.33 -32.74 72.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.7 mmt -69.92 -41.14 75.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.789 0.328 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.63 HG12 HD13 ' B' ' 655' ' ' LEU . 21.7 t -67.97 -57.64 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.09 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.25 -35.76 66.45 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.74 -48.62 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.333 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.86 -50.34 69.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.746 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.2 -57.62 9.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.436 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.51 -42.2 91.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.901 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.51 HD21 HG21 ' A' ' 660' ' ' VAL . 10.9 mt -49.32 -48.3 46.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.886 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.507 ' O ' HD13 ' B' ' 662' ' ' LEU . 6.4 mt -67.06 -39.51 86.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.91 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.746 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.0 t -61.68 -44.93 99.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.692 HG12 HD11 ' B' ' 664' ' ' ILE . 66.5 t -63.59 -41.35 92.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.3 89.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.507 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.71 -39.3 87.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.94 -49.08 70.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.692 HD11 HG12 ' B' ' 660' ' ' VAL . 6.9 mt -59.46 -56.15 19.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.94 -61.59 5.19 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.62 -33.23 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.25 -43.26 98.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 37.9 mtp -68.98 -40.02 79.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -63.43 -56.71 14.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -58.7 -54.51 46.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -60.49 134.8 57.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 45.6 p-80 -69.06 172.4 6.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -144.98 141.42 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 7.3 p -127.49 142.61 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 17.7 mtm-85 -75.59 121.04 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -133.12 128.1 35.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.888 0.375 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -130.97 166.34 22.7 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -131.82 160.52 67.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -175.31 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.6 m -143.64 128.05 17.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.068 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -67.77 156.24 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -151.3 70.01 0.31 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -47.61 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.3 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.59 113.33 17.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.71 HD12 ' CB ' ' A' ' 647' ' ' ALA . 11.4 pt -51.69 155.7 2.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.628 0.728 . . . . 0.0 111.135 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -170.78 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.312 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . 0.458 ' CB ' ' HG ' ' B' ' 645' ' ' SER . 0.3 OUTLIER -78.46 -36.03 45.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.849 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.62 -32.59 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.71 ' CB ' HD12 ' A' ' 643' ' ' ILE . . . -51.27 -28.91 13.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.073 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 36.2 m -49.91 -32.49 14.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.67 -32.8 74.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.6 mmt -69.41 -42.13 75.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.743 0.306 . . . . 0.0 110.855 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.607 HG12 HD13 ' A' ' 655' ' ' LEU . 21.7 t -66.98 -58.1 7.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.41 -36.12 62.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.06 -48.61 75.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 58.1 mt -63.74 -49.36 73.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.48 -57.57 10.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.59 -42.03 91.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 11.7 mt -49.38 -48.44 46.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 662' ' ' LEU . 16.7 mt -67.05 -39.6 86.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.7 t -61.55 -44.91 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.721 HG12 HD11 ' A' ' 664' ' ' ILE . 80.2 t -63.75 -41.0 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.98 90.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -67.02 -39.39 87.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.89 -48.76 73.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.531 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.721 HD11 HG12 ' A' ' 660' ' ' VAL . 7.1 mt -59.67 -56.09 19.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.98 -61.49 5.28 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.66 -33.45 33.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.97 -43.43 98.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 83.8 mmm -74.21 -36.88 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -68.82 -36.47 78.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.2 32.05 5.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -99.61 124.3 44.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -158.83 172.41 18.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.23 152.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 59.9 t -135.07 133.54 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -118.65 135.04 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -154.02 137.93 16.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 39.5 mtm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.901 0.381 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -130.92 166.39 22.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -131.84 160.53 67.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -174.98 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.294 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.5 m -143.39 127.8 17.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -67.9 156.09 37.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -151.58 69.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -47.71 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.307 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.74 113.29 17.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.716 HD12 ' CB ' ' B' ' 647' ' ' ALA . 11.5 pt -51.69 155.7 2.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.621 0.724 . . . . 0.0 111.116 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -170.81 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.458 ' HG ' ' CB ' ' A' ' 645' ' ' SER . 0.4 OUTLIER -78.51 -35.99 45.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.62 -32.5 13.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.716 ' CB ' HD12 ' B' ' 643' ' ' ILE . . . -51.24 -28.87 12.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 35.4 m -49.93 -32.32 14.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.57 -32.69 75.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 3.6 mmt -69.72 -42.72 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.62 HG12 HD13 ' B' ' 655' ' ' LEU . 21.8 t -67.13 -57.84 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.66 -35.97 63.79 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.26 -48.71 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.72 -49.4 73.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.742 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.5 -57.56 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.43 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.62 -42.0 91.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 11.6 mt -49.37 -48.55 46.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.512 ' O ' HD13 ' B' ' 662' ' ' LEU . 16.7 mt -66.94 -39.54 87.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.0 t -61.57 -45.01 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.695 HG12 HD11 ' B' ' 664' ' ' ILE . 78.9 t -63.73 -40.97 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.1 90.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.085 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.512 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.93 -39.32 87.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.85 72.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.534 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.695 HD11 HG12 ' B' ' 660' ' ' VAL . 7.1 mt -59.58 -56.17 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.845 0.355 . . . . 0.0 111.109 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.01 -61.46 5.32 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.471 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.68 -33.42 33.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.03 -43.41 98.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 83.9 mmm -73.49 -36.6 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -68.73 -35.9 77.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.16 32.17 5.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -99.76 123.95 44.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -159.12 172.41 18.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.15 152.38 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 60.0 t -135.01 133.68 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -118.57 135.1 54.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -153.88 138.03 16.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 39.5 mtm-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.67 171.06 13.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.6 m -154.84 160.6 30.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.647 0.736 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 161.33 46.36 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.745 2.297 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.7 m -159.82 154.64 24.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.41 -176.19 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 143.44 75.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 83.23 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.706 2.27 . . . . 0.0 112.359 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . 0.448 ' O ' HG23 ' A' ' 643' ' ' ILE . 0.6 OUTLIER -170.86 162.01 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.506 ' O ' HD12 ' A' ' 643' ' ' ILE . 1.2 pp -157.19 159.18 31.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.634 0.73 . . . . 0.0 111.14 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -171.44 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.21 -33.98 76.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 3.2 mt -50.18 -31.97 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.502 ' HB3' HD13 ' A' ' 643' ' ' ILE . . . -51.44 -29.2 15.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.079 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 91.1 m -50.16 -32.5 16.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.141 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.37 -32.33 79.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.48 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.2 mmt -67.46 -42.84 82.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 41.5 t -66.79 -54.14 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.92 -34.36 71.57 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.79 -49.71 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.22 -48.38 80.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.77 -57.65 10.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.69 -41.65 91.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.621 HD21 HG21 ' B' ' 660' ' ' VAL . 12.0 mt -49.7 -48.34 49.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 662' ' ' LEU . 7.6 mp -67.16 -39.62 86.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.1 t -61.65 -44.61 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.702 HG12 HD11 ' A' ' 664' ' ' ILE . 62.5 t -63.78 -41.71 93.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.94 88.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.97 -39.29 87.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.88 -49.24 69.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.702 HD11 HG12 ' A' ' 660' ' ' VAL . 6.7 mt -59.35 -56.14 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.86 -61.73 5.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.62 -33.1 31.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.818 0.342 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.28 -43.39 98.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 44.2 mmm -73.94 -35.92 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 73.3 mtt-85 -65.63 -35.88 82.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -102.24 34.41 2.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -69.35 -36.72 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -55.84 172.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.23 163.79 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.097 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.6 m -65.79 154.62 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.146 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -60.35 134.26 56.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 73.5 mttt -113.34 129.2 56.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.66 171.03 13.73 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.6 m -155.02 160.52 30.84 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.888 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 161.42 46.01 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.713 2.276 . . . . 0.0 112.341 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.7 m -159.88 154.45 24.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.09 -175.97 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 143.63 74.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 85.16 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.35 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . 0.464 ' O ' HG23 ' B' ' 643' ' ' ILE . 0.5 OUTLIER -169.08 161.29 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.507 HD12 ' O ' ' B' ' 643' ' ' ILE . 1.2 pp -157.72 159.11 30.71 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 111.137 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.59 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.84 -35.81 75.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 3.2 mt -51.68 -33.08 14.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.436 ' HB2' ' HB ' ' B' ' 643' ' ' ILE . . . -51.45 -28.9 14.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.083 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 91.6 m -49.85 -32.05 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.148 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -65.74 -32.8 84.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.0 mmt -66.83 -45.82 77.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.82 0.343 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.555 HG12 HD13 ' B' ' 655' ' ' LEU . 41.5 t -66.85 -54.45 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.42 -35.26 71.18 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.68 68.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.773 0.32 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 60.2 mt -61.07 -50.5 73.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.748 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.73 -57.65 10.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.481 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.63 -41.61 90.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.473 HD21 HG21 ' A' ' 660' ' ' VAL . 11.7 mt -49.74 -48.35 50.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.515 ' O ' HD13 ' B' ' 662' ' ' LEU . 7.5 mp -67.12 -39.69 86.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.748 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.2 t -61.61 -44.49 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.69 HG12 HD11 ' B' ' 664' ' ' ILE . 62.0 t -63.86 -41.71 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.99 88.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.062 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -67.01 -39.3 87.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.07 70.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.447 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.69 HD11 HG12 ' B' ' 660' ' ' VAL . 6.7 mt -59.53 -56.06 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 0.0 111.132 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.94 -61.62 5.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.479 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.65 -33.16 32.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.32 -43.3 98.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 44.4 mmm -71.26 -36.15 71.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -65.68 -35.73 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -102.91 34.59 2.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -69.07 -36.02 77.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -55.25 172.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.9 pt -145.61 164.24 11.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 31.1 m -65.94 155.44 6.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -59.33 134.05 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -113.6 129.6 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 . . . . . 0 CA--C 1.527 0.063 0 CA-C-O 120.91 0.386 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.79 131.52 7.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.1 m -129.41 160.56 63.62 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.614 0.721 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 147.3 62.37 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.666 2.244 . . . . 0.0 112.327 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 21.2 m -138.62 123.25 18.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -152.76 156.83 39.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 155.2 75.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -46.59 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -107.34 156.59 18.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.424 HG23 ' HD2' ' A' ' 644' ' ' PRO . 64.3 mt -55.9 132.97 73.41 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.655 0.741 . . . . 0.0 111.106 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.3 Cg_endo -69.76 168.57 21.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.338 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . 0.417 ' CB ' ' HG ' ' B' ' 645' ' ' SER . 0.6 OUTLIER -78.42 -35.47 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.62 -32.68 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.14 -29.25 13.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.072 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 89.5 m -50.16 -32.25 15.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.32 -32.1 71.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.5 mmt -69.4 -40.93 77.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.629 HG12 HD13 ' A' ' 655' ' ' LEU . 21.9 t -68.12 -57.39 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.33 64.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.494 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.39 -48.92 71.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.818 0.342 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 57.7 mt -63.25 -49.93 72.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.67 -57.69 9.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.58 -41.68 90.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.411 HD21 HG21 ' B' ' 660' ' ' VAL . 10.9 mt -49.6 -48.65 48.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 662' ' ' LEU . 16.1 mt -66.9 -39.51 87.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.9 t -61.47 -45.24 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 664' ' ' ILE . 80.8 t -63.53 -40.84 90.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.12 90.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.88 -39.41 87.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.91 -48.91 71.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.483 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 660' ' ' VAL . 7.2 mt -59.49 -56.18 18.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 111.11 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -61.55 5.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.66 -33.2 32.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.22 -43.56 97.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 51.5 mtm -67.93 -41.57 82.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 65.6 mtp85 -64.09 -55.21 23.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -59.75 -52.91 63.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -77.05 178.51 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -117.79 172.49 7.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.37 160.07 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 17.4 m -149.35 146.24 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -67.62 176.66 2.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -153.39 134.06 13.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.928 0.394 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 104.78 131.58 7.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -129.44 160.53 63.85 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.638 0.733 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 147.02 62.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 21.3 m -138.88 123.3 18.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -152.74 156.69 39.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 155.16 75.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -46.8 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.696 2.264 . . . . 0.0 112.293 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 29.7 tttp -107.61 156.34 19.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.431 HG23 ' HD2' ' B' ' 644' ' ' PRO . 64.5 mt -56.1 133.03 74.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.633 0.73 . . . . 0.0 111.11 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.431 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.5 Cg_endo -69.77 168.54 21.26 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.417 ' HG ' ' CB ' ' A' ' 645' ' ' SER . 0.6 OUTLIER -78.46 -35.61 46.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.842 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.8 mm -51.55 -32.94 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.102 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.14 -29.21 12.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 89.2 m -50.14 -32.28 15.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.35 -32.26 71.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.5 mmt -69.49 -41.1 76.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.641 HG12 HD13 ' B' ' 655' ' ' LEU . 21.8 t -68.25 -57.09 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.24 -35.6 65.79 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.24 70.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.875 0.369 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 57.1 mt -62.87 -50.24 71.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.755 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.62 -57.67 9.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.425 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.64 -41.67 91.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.9 mt -49.61 -48.54 48.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.51 ' O ' HD13 ' B' ' 662' ' ' LEU . 16.1 mt -66.97 -39.54 87.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.0 t -61.61 -45.04 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.693 HG12 HD11 ' B' ' 664' ' ' ILE . 80.3 t -63.65 -40.94 90.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.78 -41.12 90.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.51 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.89 -39.42 87.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.972 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.82 -48.93 71.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.693 HD11 HG12 ' B' ' 660' ' ' VAL . 7.1 mt -59.54 -56.11 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 111.142 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.0 -61.5 5.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.535 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.63 -33.24 32.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.19 -43.45 98.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 51.5 mtm -67.59 -41.41 84.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -64.01 -55.34 23.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -60.02 -53.04 62.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -77.18 178.83 6.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -117.63 172.41 7.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.34 160.15 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 17.4 m -149.17 146.3 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -67.69 176.71 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 20.0 ttpp -153.38 134.03 13.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.968 0.413 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.44 169.54 41.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.99 160.57 30.79 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.568 0.699 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 141.73 45.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.1 p -141.67 148.42 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -88.11 170.87 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -146.1 -175.3 19.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -41.57 4.12 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -84.16 126.74 33.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.439 HG23 ' HD2' ' A' ' 644' ' ' PRO . 49.6 mm -56.67 133.03 78.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.645 0.736 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 643' ' ' ILE . 54.3 Cg_endo -69.72 170.44 16.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.374 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -35.9 66.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.444 ' HA ' HG21 ' B' ' 648' ' ' THR . 2.9 mt -51.56 -31.5 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.0 -29.0 11.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 24.2 m -50.1 -32.38 15.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.85 -32.29 73.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.6 mmt -69.19 -41.71 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.618 HG12 HD13 ' A' ' 655' ' ' LEU . 22.1 t -67.91 -58.04 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.92 -34.85 62.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.38 -49.11 70.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 55.7 mt -63.36 -49.43 73.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.763 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.63 -57.72 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.496 HD22 HD11 ' B' ' 657' ' ' LEU . 0.3 OUTLIER -59.59 -41.78 91.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.786 HD21 HG21 ' B' ' 660' ' ' VAL . 11.5 mt -49.49 -48.57 47.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 662' ' ' LEU . 5.7 mt -66.99 -39.65 87.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.6 t -61.55 -44.56 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.714 HG12 HD11 ' A' ' 664' ' ' ILE . 61.6 t -63.75 -41.81 93.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.35 -40.96 88.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -67.05 -39.12 86.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.09 69.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.714 HD11 HG12 ' A' ' 660' ' ' VAL . 6.6 mt -59.52 -55.92 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.842 0.353 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.07 -61.58 5.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.65 -33.3 33.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 0.0 110.918 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.33 98.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 10.7 mtp -68.42 -37.37 80.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -70.44 -59.66 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.01 -58.96 5.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 55.64 36.7 27.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -93.48 172.41 8.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -145.28 163.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.42 151.36 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -121.5 144.33 48.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -148.43 143.98 27.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.882 0.372 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.53 169.52 41.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.524 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.88 160.6 30.75 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.1 44.29 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.1 p -142.34 148.75 38.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -88.0 169.56 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -147.36 -174.9 19.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -39.97 5.85 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.369 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 11.3 tptt -82.16 128.95 34.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' B' ' 644' ' ' PRO . 49.7 mm -54.17 133.04 60.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.617 0.722 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.5 Cg_endo -69.73 171.37 14.55 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.308 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.57 -35.94 68.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.47 -32.55 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.11 -29.34 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . 0.444 HG21 ' HA ' ' A' ' 646' ' ' ILE . 27.0 m -50.05 -32.37 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.46 73.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.7 mmt -68.99 -41.4 77.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.618 HG12 HD13 ' B' ' 655' ' ' LEU . 21.8 t -67.5 -57.5 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.95 -34.98 62.4 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.24 -49.21 70.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 59.3 mt -63.23 -49.51 73.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.76 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.56 -57.66 9.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.482 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.6 -41.81 91.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.496 HD11 HD22 ' A' ' 656' ' ' LEU . 11.5 mt -49.45 -48.6 47.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.509 ' O ' HD13 ' B' ' 662' ' ' LEU . 5.8 mt -66.95 -39.66 87.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.955 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.76 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.4 t -61.61 -44.35 98.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.786 HG21 HD21 ' A' ' 657' ' ' LEU . 61.4 t -63.79 -41.92 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.05 87.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.509 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -67.0 -39.04 87.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.09 -49.2 68.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.493 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.713 HD11 HG12 ' B' ' 660' ' ' VAL . 6.6 mt -59.35 -55.99 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 111.133 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.05 -61.61 5.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.48 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.66 -33.11 32.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.33 -43.25 98.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 10.1 mtp -69.9 -37.87 76.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -70.39 -60.29 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.84 -58.97 5.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 55.76 36.27 26.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -94.18 172.44 8.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -145.27 163.84 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 10.9 p -77.07 150.98 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -122.03 144.52 48.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 6.7 ttpp -148.17 143.82 27.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.954 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.863 0.364 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.01 171.2 43.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.531 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -137.75 160.51 64.58 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.564 0.697 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -178.7 2.46 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 1.9 m -160.33 155.98 25.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -105.11 168.57 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -113.88 -177.72 19.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.447 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -48.03 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -77.95 156.44 30.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.425 HG23 ' HD2' ' A' ' 644' ' ' PRO . 5.2 mp -86.79 133.01 40.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.632 0.73 . . . . 0.0 111.132 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.425 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.2 Cg_endo -69.75 -171.09 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 2.254 . . . . 0.0 112.325 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.38 -33.63 21.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 48.5 mm -50.38 -31.96 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.33 -28.64 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 56.0 m -48.99 -31.34 7.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -59.79 -33.34 77.6 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.6 mmt -66.08 -44.68 83.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 47.0 t -66.23 -54.97 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.86 -33.63 68.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.06 -49.39 67.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.129 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 59.8 mt -59.07 -48.39 81.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.754 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.74 -57.68 9.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.465 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.63 -41.64 90.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.441 HD21 HG21 ' B' ' 660' ' ' VAL . 12.6 mt -49.63 -48.57 49.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.511 ' O ' HD13 ' A' ' 662' ' ' LEU . 9.1 mt -66.99 -39.61 87.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.6 t -61.54 -44.67 99.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.705 HG12 HD11 ' A' ' 664' ' ' ILE . 61.7 t -63.71 -41.64 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.99 88.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -67.02 -39.35 87.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.91 -48.93 71.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.473 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.705 HD11 HG12 ' A' ' 660' ' ' VAL . 6.8 mt -59.56 -56.18 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 111.142 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.79 -61.62 5.1 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.69 -33.33 33.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 0.0 110.932 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.27 98.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 66.8 mmm -67.25 -48.92 66.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -56.74 -37.9 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -61.19 -50.26 73.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.88 110.66 16.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -70.89 172.25 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 179.0 132.84 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 19.5 m -107.91 175.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 21.2 ttp85 -98.03 169.59 9.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -136.57 144.0 43.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.943 0.401 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -178.1 170.97 43.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -138.0 160.57 63.92 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.647 0.737 . . . . 0.0 110.86 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -178.97 2.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 1.9 m -160.49 156.03 25.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.126 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -104.74 170.89 7.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -111.52 179.37 19.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -48.34 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.709 2.272 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -78.77 153.53 30.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.438 HG23 ' HD2' ' B' ' 644' ' ' PRO . 5.2 mp -90.0 133.08 34.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.591 0.71 . . . . 0.0 111.171 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.8 Cg_endo -69.8 -171.82 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.18 -35.44 20.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.5 -32.24 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.1 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.64 -27.99 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 59.6 m -49.02 -32.04 8.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.16 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.23 -33.26 79.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.485 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.6 mmt -67.53 -45.57 75.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.415 HG12 HD13 ' B' ' 655' ' ' LEU . 47.0 t -67.22 -54.73 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.38 -33.75 66.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.55 -50.37 63.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.89 -49.23 78.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.741 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.66 -57.6 10.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.473 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.66 -41.7 91.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.615 HD21 HG21 ' A' ' 660' ' ' VAL . 12.4 mt -49.62 -48.49 49.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.506 ' O ' HD13 ' B' ' 662' ' ' LEU . 9.1 mt -67.08 -39.62 86.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.741 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.7 t -61.53 -44.68 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.734 HG12 HD11 ' B' ' 664' ' ' ILE . 63.0 t -63.88 -41.49 92.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.07 88.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.1 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.88 -39.52 87.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.75 -48.96 72.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.734 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.48 -56.21 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 111.141 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.92 -61.5 5.25 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.479 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.472 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.69 -33.35 33.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.28 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 68.2 mmm -66.75 -47.77 71.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -55.93 -36.35 67.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 7.3 mtt180 -59.9 -50.19 74.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.29 110.81 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -70.54 172.21 8.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 179.03 132.92 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 19.8 m -107.48 173.97 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 21.3 ttp85 -99.15 169.8 9.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -135.7 143.39 45.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.859 0.362 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -136.94 117.47 1.56 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -138.76 160.65 62.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.618 0.723 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -178.12 2.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 8.9 t -127.58 147.96 50.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -152.24 149.4 28.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -110.42 166.45 12.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -44.11 2.29 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.32 -178.6 5.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 644' ' ' PRO . 56.9 mt -98.41 133.01 23.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.619 0.723 . . . . 0.0 111.124 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.8 Cg_endo -69.76 -171.0 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.629 2.219 . . . . 0.0 112.384 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.97 -35.95 18.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.62 -31.83 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -50.97 -29.32 11.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 28.1 m -49.96 -32.41 14.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.181 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.33 -32.75 72.22 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.04 -40.59 78.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.587 HG12 HD13 ' A' ' 655' ' ' LEU . 21.8 t -67.63 -56.26 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.03 -36.65 68.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.452 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.37 -49.15 72.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.88 0.372 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.14 -49.98 73.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.61 -57.59 10.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.49 -41.92 90.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.5 mt -49.53 -48.58 48.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 662' ' ' LEU . 9.0 mt -66.8 -39.62 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.4 t -61.7 -44.87 99.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.724 HG12 HD11 ' A' ' 664' ' ' ILE . 62.7 t -63.37 -41.58 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.56 89.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.504 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.6 mp -66.75 -38.02 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.29 -48.35 70.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.724 HD11 HG12 ' A' ' 660' ' ' VAL . 6.6 mt -60.77 -58.46 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 111.151 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.99 -55.19 12.05 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -57.04 -31.13 64.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.89 -42.59 90.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.1 mtt -68.13 -41.36 81.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 34.0 mtp85 -65.83 -45.57 81.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -60.14 -52.34 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -141.96 151.85 42.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -113.2 172.4 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.3 142.56 22.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.084 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.9 161.59 33.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.135 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 10.2 ptt85 -99.99 133.31 44.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -111.86 140.33 46.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 N--CA 1.458 -0.038 0 CA-C-O 120.932 0.396 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -136.87 117.78 1.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.0 m -138.56 160.53 63.13 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -178.64 2.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 9.0 t -127.88 148.71 50.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -151.88 149.81 29.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -110.21 165.79 12.35 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.53 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.26 2.22 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.242 . . . . 0.0 112.37 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.4 -178.85 5.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.42 HG23 ' HD2' ' B' ' 644' ' ' PRO . 57.5 mt -98.62 133.08 22.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.42 ' HD2' HG23 ' B' ' 643' ' ' ILE . 54.2 Cg_endo -69.69 -170.97 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.362 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.97 -35.78 18.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.47 -31.43 12.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.14 -28.89 11.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.048 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 25.1 m -49.89 -32.19 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.24 -32.92 72.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.433 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -69.74 -41.92 74.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.618 HG12 HD13 ' B' ' 655' ' ' LEU . 21.7 t -67.96 -57.08 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.04 -36.02 66.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.05 72.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 55.3 mt -62.97 -50.22 71.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.752 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.68 -57.63 10.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.94 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.474 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.5 -41.78 90.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.853 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.578 HD21 HG21 ' A' ' 660' ' ' VAL . 10.7 mt -49.59 -48.66 48.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 662' ' ' LEU . 8.8 mt -66.81 -39.58 87.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.5 t -61.6 -44.86 99.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.708 HG12 HD11 ' B' ' 664' ' ' ILE . 62.1 t -63.38 -41.69 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.39 89.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.502 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.6 mp -66.91 -38.06 85.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.21 -48.4 70.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.511 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.708 HD11 HG12 ' B' ' 660' ' ' VAL . 6.5 mt -60.74 -58.52 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.347 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.93 -55.23 11.89 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.457 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.6 mp -57.0 -31.14 64.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.9 -42.71 89.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 3.1 mtt -67.91 -40.96 83.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 33.6 mtp85 -65.45 -45.87 82.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 64.3 mtp180 -60.14 -52.38 65.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -141.9 151.83 43.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -113.23 172.45 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.31 142.58 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.97 161.55 33.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 10.3 ptt85 -99.92 133.36 44.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -111.86 140.33 46.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 54.1 mtm180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -135.19 106.23 0.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -146.75 156.56 48.2 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.584 0.706 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -45.59 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.12 145.88 34.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.132 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -118.32 148.37 42.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 147.48 75.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 79.49 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.22 160.11 40.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' A' ' 644' ' ' PRO . 45.3 mm -69.18 133.07 89.73 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.612 0.72 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 643' ' ' ILE . 54.0 Cg_endo -69.75 175.19 8.42 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.71 2.274 . . . . 0.0 112.362 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.07 -36.01 48.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -58.16 -32.92 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.33 -28.75 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 59.1 m -49.74 -32.18 13.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.54 -33.4 72.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.493 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 1.6 mmt -69.86 -41.51 74.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.637 HG12 HD13 ' A' ' 655' ' ' LEU . 22.9 t -67.86 -56.51 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.33 -36.67 70.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.502 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.34 -48.97 73.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.9 mt -62.86 -50.86 69.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.749 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.3 -57.6 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.53 -42.12 91.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.31 -48.44 46.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 662' ' ' LEU . 12.1 mt -66.99 -39.56 87.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 655' ' ' LEU . 18.0 t -61.63 -44.93 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.709 HG12 HD11 ' A' ' 664' ' ' ILE . 74.8 t -63.73 -41.03 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.04 90.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.97 -39.46 87.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.86 -48.87 72.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.709 HD11 HG12 ' A' ' 660' ' ' VAL . 7.1 mt -59.59 -56.11 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 111.149 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.97 -61.45 5.31 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.69 -33.42 34.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.0 -43.38 98.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 90.7 mmm -68.41 -36.34 78.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -64.56 -38.15 90.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -52.64 -44.9 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -88.12 166.5 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -137.16 172.45 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 14.0 pt -145.29 164.57 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 10.7 m -118.1 163.72 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -57.3 -54.94 41.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -114.92 130.33 56.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.874 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.864 0.364 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -135.18 106.19 0.57 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -146.58 156.57 48.85 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.627 0.727 . . . . 0.0 110.867 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -45.59 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.02 145.39 34.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -118.36 148.45 42.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 147.39 75.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 79.55 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.84 160.42 39.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.43 HG23 ' HD2' ' B' ' 644' ' ' PRO . 44.7 mm -68.93 133.03 90.23 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.59 0.71 . . . . 0.0 111.167 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.1 Cg_endo -69.79 175.73 7.74 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.704 2.27 . . . . 0.0 112.306 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -35.98 48.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -58.29 -32.98 46.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.44 -28.49 13.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 58.5 m -49.63 -32.29 12.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -69.23 -33.71 73.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.447 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 1.6 mmt -70.17 -41.94 73.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.648 HG12 HD13 ' B' ' 655' ' ' LEU . 23.5 t -67.95 -56.5 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.47 -36.67 71.3 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.86 74.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.07 -50.75 69.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.761 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.38 -57.47 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.427 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.53 -42.13 91.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.8 mt -49.32 -48.62 46.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.501 ' O ' HD13 ' B' ' 662' ' ' LEU . 12.0 mt -66.83 -39.59 87.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.761 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.1 t -61.51 -45.02 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.706 HG12 HD11 ' B' ' 664' ' ' ILE . 76.3 t -63.67 -40.92 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.85 -41.04 90.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.501 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -67.03 -39.35 86.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.887 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.87 -48.92 71.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.706 HD11 HG12 ' B' ' 660' ' ' VAL . 7.1 mt -59.54 -56.2 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -61.56 5.2 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.471 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.6 -33.49 33.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.916 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.91 -43.52 98.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 90.7 mmm -68.2 -36.24 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 65.1 mtp85 -64.59 -37.88 89.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 -52.17 -44.59 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -88.03 166.33 14.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -137.2 172.47 12.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.38 164.53 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 10.8 m -118.0 163.58 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -57.25 -55.0 40.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -115.0 130.31 56.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.946 0.403 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 131.86 113.19 1.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.51 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -123.45 156.61 63.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.652 0.739 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 139.69 40.6 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.689 2.26 . . . . 0.0 112.308 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -134.13 141.85 47.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 42.8 m-20 -151.54 147.24 26.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 61.43 166.73 0.41 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 145.8 58.1 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.712 2.274 . . . . 0.0 112.325 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 20.3 mtpt -143.25 119.95 11.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.42 HG23 ' HD2' ' A' ' 644' ' ' PRO . 5.2 mp -118.49 133.08 23.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.639 0.733 . . . . 0.0 111.089 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.42 ' HD2' HG23 ' A' ' 643' ' ' ILE . 54.0 Cg_endo -69.78 179.74 3.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.252 . . . . 0.0 112.355 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . 0.4 ' CB ' ' HG ' ' B' ' 645' ' ' SER . 0.6 OUTLIER -81.95 -36.1 28.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.91 -33.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.78 -28.24 14.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 26.2 m -48.95 -32.64 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.96 -35.74 84.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -70.5 -43.5 69.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.612 HG12 HD13 ' A' ' 655' ' ' LEU . 21.6 t -67.04 -55.4 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.27 -38.84 80.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -62.62 -48.48 79.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.7 mt -62.7 -51.02 68.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.34 -57.52 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.48 -42.05 91.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.803 HD21 HG21 ' B' ' 660' ' ' VAL . 10.8 mt -49.48 -48.33 47.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.508 ' O ' HD13 ' A' ' 662' ' ' LEU . 16.7 mt -67.07 -39.63 86.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.2 t -61.66 -44.73 99.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.829 HG21 HD21 ' B' ' 657' ' ' LEU . 62.6 t -63.6 -41.66 93.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.15 88.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.76 -39.16 87.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.07 -49.15 68.87 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.708 HD11 HG12 ' A' ' 660' ' ' VAL . 6.7 mt -59.35 -56.05 19.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.59 5.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.69 -33.12 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.869 0.366 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.2 -43.46 98.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 36.0 mmt -68.82 -38.24 79.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -69.11 -51.61 36.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -62.82 -58.43 7.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -62.6 152.9 33.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 53.6 m170 -63.97 172.51 2.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.31 140.99 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 40.2 t -51.82 109.33 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 8.7 ptp85 -90.56 -36.31 14.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.84 143.91 46.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.918 0.39 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 131.93 113.3 1.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -123.58 156.56 64.3 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.613 0.72 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 139.45 40.16 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.27 . . . . 0.0 112.328 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -134.42 141.9 46.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -151.34 146.97 26.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 61.05 166.09 0.3 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 145.44 57.56 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.255 . . . . 0.0 112.397 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -143.67 119.32 10.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' B' ' 644' ' ' PRO . 5.2 mp -119.17 133.05 23.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.642 0.734 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.4 Cg_endo -69.83 179.75 3.52 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.4 ' HG ' ' CB ' ' A' ' 645' ' ' SER . 0.6 OUTLIER -81.87 -36.07 28.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 40.3 mm -60.19 -33.09 52.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.62 -28.3 13.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.123 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 26.5 m -49.19 -32.49 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.11 -35.17 83.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 3.8 mmt -70.48 -43.65 69.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.638 HG12 HD13 ' B' ' 655' ' ' LEU . 21.6 t -66.88 -55.6 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.07 -38.89 78.13 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -62.58 -48.48 79.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.053 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 56.8 mt -62.7 -50.87 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.738 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.38 -57.47 10.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.461 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.69 -41.96 91.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.829 HD21 HG21 ' A' ' 660' ' ' VAL . 10.8 mt -49.41 -48.38 47.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 662' ' ' LEU . 16.7 mt -67.01 -39.71 87.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.6 t -61.5 -44.92 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.803 HG21 HD21 ' A' ' 657' ' ' LEU . 62.9 t -63.57 -41.51 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.43 -41.18 88.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.502 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.79 -39.21 87.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.06 69.96 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.488 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.722 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.54 -55.97 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.367 . . . . 0.0 111.101 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.02 -61.64 5.19 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.475 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.66 -33.24 32.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.811 0.339 . . . . 0.0 110.907 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.11 -43.35 98.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 35.8 mmt -67.82 -37.9 82.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -68.3 -50.73 51.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -62.16 -58.31 8.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -62.15 152.62 32.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -63.21 172.45 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.0 pt -145.49 140.93 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.82 109.03 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -90.42 -36.52 14.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -58.97 143.94 46.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.9 0.381 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 144.6 -135.25 6.04 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.8 m -116.2 160.58 35.15 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -35.38 12.59 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.321 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.7 m -161.11 149.75 16.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.175 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -103.76 -175.37 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 162.51 75.98 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -47.36 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -102.85 159.87 15.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.433 HG23 ' HD2' ' A' ' 644' ' ' PRO . 64.5 mt -97.13 133.07 24.53 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.734 . . . . 0.0 111.147 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.3 Cg_endo -69.78 -170.9 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.337 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.38 -34.76 20.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.2 mp -51.06 -31.9 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.12 -29.27 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . 0.471 HG21 ' HA ' ' B' ' 646' ' ' ILE . 63.7 m -49.91 -32.62 15.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.12 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.8 -32.57 81.56 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 4.3 mmt -67.0 -43.51 82.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 42.8 t -65.87 -54.02 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.91 -34.66 72.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.5 -49.61 68.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.14 -48.7 79.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.53 -57.64 9.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.463 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.61 -41.84 91.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.642 HD21 HG21 ' B' ' 660' ' ' VAL . 11.0 mt -49.49 -48.49 47.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.509 ' O ' HD13 ' A' ' 662' ' ' LEU . 18.6 mt -67.01 -39.55 87.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.5 t -61.72 -44.58 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.703 HG12 HD11 ' A' ' 664' ' ' ILE . 61.8 t -63.66 -41.66 93.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.07 89.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.87 -39.16 87.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.05 -49.12 69.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.703 HD11 HG12 ' A' ' 660' ' ' VAL . 6.7 mt -59.51 -56.1 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.13 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.96 -61.64 5.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.6 mm? -51.57 -33.27 31.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.13 -43.48 98.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 9.3 mtt -72.11 -39.37 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -63.82 -35.9 82.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -101.73 34.33 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.817 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -69.14 -37.17 78.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -55.95 172.4 0.19 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 14.0 pt -145.5 164.03 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 28.6 m -93.59 148.99 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.138 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.67 109.27 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -129.22 108.01 10.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 144.61 -135.33 6.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.6 m -116.55 160.55 35.87 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.627 0.727 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.07 13.17 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.319 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.7 m -160.44 149.35 17.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -103.66 -176.02 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 162.35 75.73 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -48.27 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -102.88 158.8 16.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.433 HG23 ' HD2' ' B' ' 644' ' ' PRO . 64.9 mt -98.68 133.08 22.82 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.678 0.752 . . . . 0.0 111.102 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.4 Cg_endo -69.75 -171.09 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.703 2.269 . . . . 0.0 112.347 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.8 -35.51 19.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.471 ' HA ' HG21 ' A' ' 648' ' ' THR . 2.2 mp -51.43 -32.86 13.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.117 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.48 -28.6 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 57.5 m -49.76 -31.84 12.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -64.69 -32.88 85.68 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 4.2 mmt -66.99 -46.77 73.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.578 HG12 HD13 ' B' ' 655' ' ' LEU . 43.8 t -66.68 -54.05 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -57.4 -35.69 73.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.45 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.13 -49.81 68.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 0.0 111.106 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 65.1 mt -60.96 -50.67 72.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.745 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.72 -57.72 9.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.479 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.54 -41.62 90.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.532 HD21 HG21 ' A' ' 660' ' ' VAL . 11.2 mt -49.65 -48.59 49.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.963 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.506 ' O ' HD13 ' B' ' 662' ' ' LEU . 18.2 mt -66.96 -39.59 87.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.4 t -61.57 -44.59 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.154 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.711 HG12 HD11 ' B' ' 664' ' ' ILE . 62.0 t -63.74 -41.64 93.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.0 88.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.96 -39.25 87.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.06 -48.96 70.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.503 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.711 HD11 HG12 ' B' ' 660' ' ' VAL . 6.7 mt -59.52 -56.13 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.97 -61.5 5.27 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.478 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.6 mm? -51.67 -33.4 33.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 0.0 110.927 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.02 -43.42 98.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 10.3 mtt -70.38 -38.84 74.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -63.44 -36.06 82.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -101.89 34.29 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -68.05 -36.2 79.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -55.36 172.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 14.1 pt -145.54 164.67 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.122 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . 0.4 HG23 ' HG3' ' B' ' 676' ' ' LYS . 28.0 m -93.02 149.56 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -69.14 109.0 3.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . 0.4 ' HG3' HG23 ' B' ' 674' ' ' VAL . 8.3 mtpm? -129.33 108.18 10.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 146.79 -179.29 23.86 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -146.91 156.59 47.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.613 0.72 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.02 63.97 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.38 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 18.5 m -140.4 137.81 34.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -157.16 172.43 18.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -87.54 -174.78 48.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 97.7 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -152.08 140.34 20.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.945 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' A' ' 644' ' ' PRO . 5.2 mp -124.46 133.08 24.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.641 0.734 . . . . 0.0 111.065 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.4 Cg_endo -69.81 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.246 . . . . 0.0 112.324 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.99 -35.6 18.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.6 mt -51.41 -31.94 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.32 -28.72 12.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 37.0 m -49.81 -32.27 13.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.63 -33.03 79.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -44.4 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.812 0.339 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.539 HG12 HD13 ' A' ' 655' ' ' LEU . 24.3 t -66.06 -55.24 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.57 -38.17 79.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -62.82 -47.91 81.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.811 0.339 . . . . 0.0 111.092 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.51 -50.36 71.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.4 -57.54 10.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.434 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.52 -42.08 91.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.791 HD21 HG21 ' B' ' 660' ' ' VAL . 11.7 mt -49.36 -48.66 46.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.508 ' O ' HD13 ' A' ' 662' ' ' LEU . 12.1 mt -66.75 -39.53 87.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.9 t -61.63 -45.07 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.731 HG12 HD11 ' A' ' 664' ' ' ILE . 66.6 t -63.4 -41.32 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.45 90.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.6 mp -66.9 -38.19 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.19 -48.19 72.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.496 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.731 HD11 HG12 ' A' ' 660' ' ' VAL . 6.8 mt -60.84 -58.62 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 111.142 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -55.12 12.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.513 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.98 -31.33 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.75 -42.59 90.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 14.1 mmt -71.48 -37.63 71.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 81.0 mtt-85 -58.71 -48.66 80.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -57.62 -38.02 74.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -143.56 113.89 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -92.66 172.46 8.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.8 pt -145.23 163.38 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.1 m -110.27 177.86 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.089 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -107.46 165.89 11.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -114.58 140.94 48.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.924 0.392 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 146.85 -179.45 23.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.432 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -147.28 156.58 46.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 148.49 65.05 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 18.3 m -140.05 137.55 34.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -157.31 172.44 18.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -87.58 -175.56 48.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.51 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 97.81 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.659 2.239 . . . . 0.0 112.338 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -152.28 139.33 19.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.415 HG23 ' HD2' ' B' ' 644' ' ' PRO . 5.2 mp -125.43 133.0 24.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.622 0.725 . . . . 0.0 111.094 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.8 Cg_endo -69.73 -170.82 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.91 -35.49 18.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.6 mt -51.18 -32.55 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.49 -28.52 13.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 32.1 m -49.8 -32.02 13.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.17 -32.88 81.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -46.22 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.639 HG12 HD13 ' B' ' 655' ' ' LEU . 24.6 t -66.95 -54.44 24.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.52 -38.61 81.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.489 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.05 -48.79 77.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.327 . . . . 0.0 111.092 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 57.5 mt -61.92 -51.28 68.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.739 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.5 -57.52 10.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.44 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.45 -42.14 91.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.86 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.713 HD21 HG21 ' A' ' 660' ' ' VAL . 11.3 mt -49.38 -48.62 46.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.506 ' O ' HD13 ' B' ' 662' ' ' LEU . 12.2 mt -66.69 -39.58 88.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.7 t -61.62 -45.24 99.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.791 HG21 HD21 ' A' ' 657' ' ' LEU . 66.5 t -63.19 -41.25 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.51 90.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.6 mp -66.9 -38.1 85.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.24 -48.2 72.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.735 HD11 HG12 ' B' ' 660' ' ' VAL . 6.9 mt -60.78 -58.66 6.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.85 -55.25 11.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.96 -31.31 64.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -65.68 -42.64 91.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 14.2 mmt -71.34 -37.88 71.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -58.41 -48.14 81.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 69.2 mtp180 -57.84 -37.71 74.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -143.39 113.61 7.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -93.34 172.45 8.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.9 pt -145.23 163.39 12.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 19.8 m -110.89 177.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -107.38 166.26 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -114.4 139.99 49.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -99.78 174.59 26.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.6 p -153.89 156.56 32.17 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 110.843 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 154.13 67.96 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.77 147.97 46.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -65.05 -177.82 0.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -168.4 171.21 42.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -170.7 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -75.98 174.48 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.427 HG23 ' HD2' ' A' ' 644' ' ' PRO . 58.0 mt -61.66 133.03 93.35 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.581 0.705 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.9 Cg_endo -69.77 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.247 . . . . 0.0 112.34 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . 0.481 ' CB ' ' HG ' ' B' ' 645' ' ' SER . 0.3 OUTLIER -86.62 -34.93 19.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.9 mm -51.13 -32.17 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.15 -28.94 12.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 31.2 m -49.89 -31.82 13.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.139 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.73 -32.81 82.38 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.562 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 3.0 mmt -69.41 -45.48 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.495 HG12 HD13 ' A' ' 655' ' ' LEU . 22.4 t -66.64 -55.93 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.84 -37.97 63.45 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.45 -50.63 69.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 111.124 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 57.5 mt -59.05 -49.32 78.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.63 -57.6 10.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.462 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.68 -41.74 91.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.629 HD21 HG21 ' B' ' 660' ' ' VAL . 12.4 mt -49.56 -48.44 48.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.522 ' O ' HD13 ' A' ' 662' ' ' LEU . 4.4 mm? -67.08 -39.6 86.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.6 t -61.59 -44.65 98.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.728 HG12 HD11 ' A' ' 664' ' ' ILE . 62.5 t -63.74 -41.67 93.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.0 88.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.522 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.93 -39.49 87.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.74 -49.16 70.61 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.435 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.728 HD11 HG12 ' A' ' 660' ' ' VAL . 6.8 mt -59.37 -56.22 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 111.15 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.89 -61.62 5.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.498 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.6 -33.29 32.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.366 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.07 -43.39 98.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.86 -36.47 80.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -64.88 -35.9 82.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 50.34 31.98 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -36.08 70.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -67.17 172.41 4.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.32 165.05 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 31.7 m -123.39 171.96 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 32.9 mtp85 -88.63 136.55 32.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -154.75 130.27 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -99.67 174.6 27.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.489 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -153.82 156.54 32.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.625 0.726 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 154.25 68.09 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.719 2.28 . . . . 0.0 112.314 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.58 147.66 47.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -65.25 -178.03 0.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -168.56 171.12 42.59 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -170.89 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.726 2.284 . . . . 0.0 112.363 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -75.92 173.9 10.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.419 HG23 ' HD2' ' B' ' 644' ' ' PRO . 57.9 mt -62.13 133.02 94.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.643 0.735 . . . . 0.0 111.11 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' B' ' 643' ' ' ILE . 53.4 Cg_endo -69.78 -170.92 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.481 ' HG ' ' CB ' ' A' ' 645' ' ' SER . 0.3 OUTLIER -86.72 -35.09 19.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.32 -32.43 12.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.28 -28.78 12.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 29.2 m -49.83 -31.83 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -66.66 -32.94 82.9 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.9 mmt -69.64 -45.9 67.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.553 HG12 HD13 ' B' ' 655' ' ' LEU . 22.6 t -67.07 -56.03 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.77 -38.02 63.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.47 -50.56 69.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 58.5 mt -59.57 -49.65 76.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.54 -57.6 10.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.965 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.473 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.67 -41.84 91.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.588 HD21 HG21 ' A' ' 660' ' ' VAL . 12.4 mt -49.47 -48.53 47.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.521 ' O ' HD13 ' B' ' 662' ' ' LEU . 4.4 mm? -67.05 -39.69 86.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.5 t -61.46 -44.65 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.721 HG12 HD11 ' B' ' 664' ' ' ILE . 62.8 t -63.81 -41.56 92.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -40.95 88.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.521 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -67.0 -39.43 87.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.76 -49.15 70.55 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.721 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.39 -56.17 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.88 -61.76 5.04 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.47 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.5 -33.27 30.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.37 . . . . 0.0 110.961 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.12 -43.41 98.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.79 -36.51 80.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -64.65 -36.09 83.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 50.27 32.1 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -36.14 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 63.3 m170 -67.57 172.38 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 1.4 pp -144.48 165.17 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 32.7 m -123.05 170.27 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 34.2 mtp85 -90.59 136.99 32.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -155.07 130.17 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.89 0.376 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 88.21 153.34 25.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -126.75 160.59 58.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -171.05 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.691 2.261 . . . . 0.0 112.343 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 24.6 p -137.88 136.4 37.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -95.85 143.94 26.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -85.01 -172.42 49.16 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 84.76 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.312 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -154.88 140.83 18.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.753 HD12 ' HB1' ' A' ' 647' ' ' ALA . 8.1 pt -148.83 155.94 41.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 111.123 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 169.11 19.72 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -35.72 73.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.37 -33.49 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.753 ' HB1' HD12 ' A' ' 643' ' ' ILE . . . -51.62 -28.85 15.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 60.1 m -49.95 -32.6 15.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.73 -32.99 74.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.436 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 5.7 mmt -69.82 -41.69 74.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.627 HG12 HD13 ' A' ' 655' ' ' LEU . 21.8 t -67.77 -56.68 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.32 -36.29 68.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.549 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.56 -48.74 73.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.796 0.331 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 55.9 mt -63.12 -50.67 69.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.752 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.34 -57.51 10.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.428 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.57 -42.13 91.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.26 -48.54 45.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.509 ' O ' HD13 ' A' ' 662' ' ' LEU . 7.8 mt -66.91 -39.67 87.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.9 t -61.49 -44.96 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.703 HG12 HD11 ' A' ' 664' ' ' ILE . 66.4 t -63.61 -41.33 92.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.99 89.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -67.03 -39.28 86.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.99 -48.88 71.52 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.703 HD11 HG12 ' A' ' 660' ' ' VAL . 7.0 mt -59.62 -56.03 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.367 . . . . 0.0 111.129 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.1 -61.42 5.38 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.6 mm? -51.7 -33.37 33.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.06 -43.49 98.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 2.7 mmm -68.09 -36.61 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -67.78 -48.57 65.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -61.42 -56.76 16.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.53 142.13 50.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -144.66 172.1 13.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . 0.519 ' H ' HD13 ' A' ' 673' ' ' ILE . 0.1 OUTLIER -143.43 173.24 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.9 m -115.58 150.96 17.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -71.79 126.45 29.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -78.07 114.43 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.834 0.349 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 88.05 153.49 25.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -126.76 160.54 58.26 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.704 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -171.46 0.47 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.733 2.289 . . . . 0.0 112.359 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 24.6 p -137.95 136.46 37.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -95.61 143.85 26.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -85.27 -171.81 48.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 85.27 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.669 2.246 . . . . 0.0 112.342 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -155.14 140.31 17.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.751 HD12 ' HB1' ' B' ' 647' ' ' ALA . 8.2 pt -149.22 155.85 39.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.622 0.725 . . . . 0.0 111.156 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 168.8 20.51 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -35.73 72.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.54 -33.47 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.751 ' HB1' HD12 ' B' ' 643' ' ' ILE . . . -51.56 -28.85 15.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 59.2 m -49.95 -32.73 15.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.54 -32.84 75.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 5.5 mmt -69.92 -42.2 73.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.625 HG12 HD13 ' B' ' 655' ' ' LEU . 21.8 t -67.79 -56.54 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.34 -36.32 69.07 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.55 -48.75 73.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.02 -50.67 69.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.759 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.27 -57.56 10.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.438 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.58 -42.16 91.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.22 -48.54 45.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.506 ' O ' HD13 ' B' ' 662' ' ' LEU . 7.8 mt -66.9 -39.64 87.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.1 t -61.58 -44.89 99.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.716 HG12 HD11 ' B' ' 664' ' ' ILE . 66.1 t -63.59 -41.34 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.01 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.506 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.97 -39.27 87.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.02 -48.96 70.52 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.716 HD11 HG12 ' B' ' 660' ' ' VAL . 6.9 mt -59.51 -56.1 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 111.145 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.99 -61.56 5.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.472 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.6 mm? -51.64 -33.36 33.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.895 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.03 -43.64 98.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 2.6 mmm -68.33 -36.0 78.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -67.5 -48.52 66.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -61.29 -57.3 12.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.06 147.29 46.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -143.88 172.08 13.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . 0.525 HD13 ' H ' ' B' ' 673' ' ' ILE . 0.1 OUTLIER -143.38 174.09 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 21.1 m -114.51 151.28 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.166 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -71.02 126.45 29.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -77.88 114.7 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.836 0.351 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -162.29 120.18 0.93 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.2 m -152.07 160.1 31.96 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.592 0.71 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 176.3 7.0 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 6.4 t -167.13 145.5 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -69.48 178.95 2.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -135.09 176.1 20.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.53 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.73 17.93 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -75.97 -176.6 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.426 HG23 ' HD2' ' A' ' 644' ' ' PRO . 57.2 mt -51.69 133.18 36.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 111.108 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.8 Cg_endo -69.73 -176.26 1.42 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 4.8 t -95.52 -35.13 11.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.1 mp -51.55 -32.57 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.35 -28.54 12.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 84.9 m -49.75 -31.61 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -64.92 -32.86 85.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.6 mmt -67.38 -43.57 81.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.756 0.312 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.546 HG12 ' CD1' ' A' ' 655' ' ' LEU . 21.3 t -66.01 -55.99 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -52.02 -42.66 54.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.72 68.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.346 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 56.4 mt -56.79 -48.63 77.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.757 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.56 -57.55 10.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.922 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.37 -42.28 91.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.752 HD11 HD22 ' B' ' 656' ' ' LEU . 13.1 mt -49.22 -48.72 45.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 662' ' ' LEU . 4.3 mm? -66.73 -39.45 87.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 655' ' ' LEU . 18.2 t -61.67 -44.84 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.704 HG12 HD11 ' A' ' 664' ' ' ILE . 64.7 t -63.58 -41.19 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.22 90.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.79 -39.12 87.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.97 -49.11 69.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.704 HD11 HG12 ' A' ' 660' ' ' VAL . 6.8 mt -59.52 -56.01 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.96 -61.57 5.22 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.64 -33.38 33.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.2 99.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 19.9 mmt -75.89 -45.21 36.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -59.29 -40.77 87.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -54.5 -44.04 72.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.94 157.93 2.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -82.35 172.25 13.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 16.0 pt -123.28 -31.4 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 33.2 m -74.44 176.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.93 145.92 49.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -148.33 143.43 26.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 . . . . . 0 CA--C 1.526 0.044 0 CA-C-O 120.917 0.389 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -162.89 121.62 1.03 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.3 m -153.59 160.48 30.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.717 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 178.46 4.55 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 6.6 t -165.0 146.26 7.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -67.67 -179.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -132.76 -179.33 16.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -33.26 17.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -77.16 -179.35 5.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.417 HG23 ' HD2' ' B' ' 644' ' ' PRO . 57.1 mt -54.13 133.02 59.97 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.553 0.692 . . . . 0.0 111.205 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.417 ' HD2' HG23 ' B' ' 643' ' ' ILE . 54.1 Cg_endo -69.71 -178.48 2.34 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.731 2.287 . . . . 0.0 112.35 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 6.1 t -97.55 -35.44 10.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.1 mp -51.23 -32.71 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.117 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.72 -28.41 14.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 50.1 m -49.94 -32.4 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.52 -32.68 79.41 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.8 mmt -68.27 -44.14 76.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.543 HG12 ' CD1' ' B' ' 655' ' ' LEU . 21.6 t -66.74 -57.0 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -52.13 -41.76 54.01 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.474 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -61.14 -51.24 69.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 53.3 mt -58.04 -48.07 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.761 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -54.44 -57.68 10.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.752 HD22 HD11 ' A' ' 657' ' ' LEU . 0.3 OUTLIER -59.53 -42.01 91.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.643 HD21 HG21 ' A' ' 660' ' ' VAL . 16.3 mt -49.49 -48.53 47.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.516 ' O ' HD13 ' B' ' 662' ' ' LEU . 4.3 mm? -66.89 -39.53 87.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.761 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.4 t -61.52 -45.03 99.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.705 HG12 HD11 ' B' ' 664' ' ' ILE . 65.7 t -63.63 -41.3 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.97 89.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.91 -39.51 87.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.75 -49.06 71.22 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.464 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.705 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.45 -56.36 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.77 -61.51 5.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.479 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.7 -33.45 34.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.909 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -62.87 -43.54 98.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 19.7 mmt -77.03 -42.58 37.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 18.6 mtp85 -55.04 -35.67 64.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -51.85 -45.62 64.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 158.6 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -82.84 172.25 13.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 16.0 pt -124.51 -31.55 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 33.0 m -75.28 176.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -71.4 147.06 48.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -148.19 143.22 26.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -82.31 -178.58 52.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.9 m -139.03 160.52 62.34 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.856 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -179.67 3.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.316 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 15.1 t -125.41 139.14 53.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -115.92 167.01 11.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -132.9 73.0 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 139.74 41.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -94.53 -178.33 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 644' ' ' PRO . 71.5 mt -74.56 133.08 77.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.5 Cg_endo -69.79 -174.93 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.07 -35.17 15.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.32 -33.0 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.45 -28.97 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 50.3 m -50.03 -32.57 15.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.59 -32.58 78.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.9 mmt -68.82 -43.23 76.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.584 HG12 HD13 ' A' ' 655' ' ' LEU . 21.7 t -67.31 -59.03 4.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.07 -36.3 56.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.1 -49.98 70.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 57.7 mt -61.87 -48.35 80.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.49 -57.52 10.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.43 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.44 -42.17 91.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.6 mt -49.3 -48.72 46.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.95 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.513 ' O ' HD13 ' A' ' 662' ' ' LEU . 10.9 mt -66.68 -39.38 88.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 655' ' ' LEU . 18.3 t -61.74 -45.28 99.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.749 HG12 HD11 ' A' ' 664' ' ' ILE . 67.2 t -63.12 -41.39 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.74 90.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.513 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.6 mp -66.68 -38.07 86.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.29 -48.29 71.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.434 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.749 HD11 HG12 ' A' ' 660' ' ' VAL . 6.7 mt -60.67 -58.6 6.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.876 0.37 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -55.24 11.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.89 -31.27 64.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.76 -42.69 90.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 9.6 mtp -68.52 -49.65 58.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -63.18 -49.83 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 50.24 32.04 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -57.96 -40.59 80.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -60.24 172.37 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 7.0 tt 179.17 129.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.66 145.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.63 178.97 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -151.8 140.31 20.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.89 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.9 0.381 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -82.25 -178.68 52.51 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 3.0 m -139.04 160.5 62.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.663 0.744 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -179.68 3.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.38 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 15.1 t -125.38 139.19 53.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -115.83 166.92 11.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -132.99 73.44 0.46 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.4 40.06 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 pttp -94.84 -177.9 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' B' ' 644' ' ' PRO . 71.4 mt -73.94 133.05 79.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.734 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' B' ' 643' ' ' ILE . 54.1 Cg_endo -69.75 -175.58 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.36 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.49 -34.98 15.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.9 mt -51.2 -33.28 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.36 -28.91 13.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.076 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 51.3 m -49.96 -32.52 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -67.65 -32.54 78.59 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.8 mmt -69.08 -43.74 73.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.82 0.343 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.601 HG12 HD13 ' B' ' 655' ' ' LEU . 21.8 t -67.33 -58.23 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.27 -36.73 57.94 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -63.94 -50.11 69.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 59.1 mt -61.62 -48.9 78.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.736 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.5 -57.53 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.442 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.49 -42.11 91.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.34 -48.79 46.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.505 ' O ' HD13 ' B' ' 662' ' ' LEU . 10.9 mt -66.64 -39.38 88.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.6 t -61.69 -45.35 98.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.729 HG12 HD11 ' B' ' 664' ' ' ILE . 67.4 t -63.13 -41.39 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.67 90.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.505 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.6 mp -66.71 -38.07 85.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -65.22 -48.22 72.26 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.729 HD11 HG12 ' B' ' 660' ' ' VAL . 6.7 mt -60.83 -58.63 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 111.134 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -55.2 11.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.521 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.92 -31.31 64.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -65.73 -42.66 90.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 9.5 mtp -68.32 -49.56 59.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -63.34 -49.81 72.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 50.17 32.1 5.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -58.35 -40.93 83.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -60.81 172.38 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 7.0 tt 179.23 128.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 14.0 p -55.69 145.59 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.167 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -63.76 178.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -152.09 140.13 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.07 170.26 38.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -151.99 160.5 31.43 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.6 0.714 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 160.81 48.34 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.392 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 4.8 t -138.54 140.52 39.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.38 149.53 47.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 161.78 75.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -45.48 1.59 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.281 . . . . 0.0 112.328 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.21 179.15 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.926 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.486 ' H ' HD12 ' A' ' 643' ' ' ILE . 5.2 mp -78.02 133.04 65.81 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.641 0.734 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 643' ' ' ILE . 54.0 Cg_endo -69.75 161.29 46.5 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.229 . . . . 0.0 112.394 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 7.8 t -76.46 -36.05 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 46.8 mm -53.67 -34.1 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -53.32 -26.94 20.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 96.6 m -47.92 -32.38 6.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -61.36 -38.98 96.62 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -44.1 84.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.857 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.469 HG12 HD13 ' A' ' 655' ' ' LEU . 46.4 t -67.55 -57.4 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -54.91 -33.47 56.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.7 -52.1 48.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 0.0 111.083 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 59.2 mt -58.16 -48.13 81.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.35 -57.53 10.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.439 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.49 -42.28 91.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.505 HD21 HG21 ' B' ' 660' ' ' VAL . 12.5 mt -49.18 -48.5 45.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.503 ' O ' HD13 ' A' ' 662' ' ' LEU . 4.3 mt -66.96 -39.5 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 655' ' ' LEU . 18.0 t -61.68 -44.75 99.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.172 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.708 HG12 HD11 ' A' ' 664' ' ' ILE . 65.5 t -63.64 -41.4 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.29 89.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.76 -39.18 87.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.04 -49.12 69.31 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.5 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.708 HD11 HG12 ' A' ' 660' ' ' VAL . 6.8 mt -59.4 -56.14 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.05 -61.56 5.26 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.59 -33.21 31.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.16 -43.62 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 3.4 mtt -69.55 -38.69 77.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -63.33 -53.25 55.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.828 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -63.1 -59.18 5.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -118.93 142.27 47.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -135.89 172.72 12.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.1 pt -145.36 166.83 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 25.6 t -128.74 138.63 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 41.5 ttm-85 -79.28 105.51 10.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.57 136.49 41.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 40.4 ttm-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 79.08 170.26 38.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -152.15 160.52 31.31 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.673 0.749 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 160.63 48.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.676 2.251 . . . . 0.0 112.322 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 4.8 t -138.83 140.57 38.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -137.23 149.2 47.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 161.43 75.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.454 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -45.89 1.41 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.9 177.94 4.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.46 ' H ' HD12 ' B' ' 643' ' ' ILE . 5.2 mp -79.17 133.0 61.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.621 0.725 . . . . 0.0 111.099 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.431 ' HD2' HG23 ' B' ' 643' ' ' ILE . 54.0 Cg_endo -69.71 161.05 47.43 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 7.2 t -76.86 -36.22 56.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 46.6 mm -54.23 -34.14 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -53.51 -26.83 22.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 96.2 m -48.02 -32.4 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.184 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -61.3 -38.94 96.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -43.93 84.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.849 0.357 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.509 HG12 HD13 ' B' ' 655' ' ' LEU . 47.7 t -68.12 -57.75 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -55.04 -33.51 57.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.83 -51.79 51.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 60.1 mt -58.8 -48.42 81.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.751 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.51 -57.61 10.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.442 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.58 -42.09 91.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 660' ' ' VAL . 12.5 mt -49.28 -48.57 45.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.952 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.516 ' O ' HD13 ' B' ' 662' ' ' LEU . 4.3 mt -66.88 -39.6 87.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.751 HG23 ' O ' ' B' ' 655' ' ' LEU . 18.2 t -61.54 -44.98 99.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.714 HG12 HD11 ' B' ' 664' ' ' ILE . 65.9 t -63.57 -41.27 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.18 89.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.9 -39.26 87.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.9 -49.11 70.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.714 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.47 -55.95 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.03 -61.7 5.15 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.6 -33.27 32.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.846 0.355 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.09 -43.34 98.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 3.3 mtt -67.45 -38.68 84.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.18 -52.35 62.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -63.04 -56.63 15.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 5.2 mpt_? -116.96 140.69 49.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -136.34 172.51 12.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.9 pt -143.62 169.78 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 26.4 t -130.77 138.76 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -77.3 106.88 9.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -99.67 136.8 39.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 129.48 113.52 1.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.5 m -153.32 160.53 30.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.546 0.689 . . . . 0.0 110.927 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 -48.32 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.701 2.268 . . . . 0.0 112.296 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -159.67 153.87 23.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.162 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -157.9 144.71 17.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.14 175.1 27.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -170.56 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.702 2.268 . . . . 0.0 112.351 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -75.89 172.34 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.83 112.26 3.08 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.613 0.72 . . . . 0.0 111.144 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.79 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 0.0 112.362 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . 0.437 ' CB ' ' HG ' ' B' ' 645' ' ' SER . 0.3 OUTLIER -79.66 -34.3 40.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.852 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 47.7 mm -50.86 -31.84 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.3 -29.02 13.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.083 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 55.3 m -49.85 -31.84 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -64.67 -32.34 83.88 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.39 -47.79 69.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.809 0.338 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 23.1 t -64.91 -55.06 22.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.87 -35.42 68.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.0 -49.62 69.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 58.3 mt -57.99 -48.53 79.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.751 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.96 -57.49 10.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.7 -42.02 92.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.535 ' CD2' HG21 ' B' ' 660' ' ' VAL . 14.2 mt -49.45 -48.39 47.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.508 ' O ' HD13 ' A' ' 662' ' ' LEU . 18.5 mt -66.95 -39.65 87.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.9 t -61.52 -45.28 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.709 HG12 HD11 ' A' ' 664' ' ' ILE . 68.0 t -63.48 -41.05 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.25 90.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.74 -39.47 87.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.9 -48.92 71.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.504 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.709 HD11 HG12 ' A' ' 660' ' ' VAL . 7.1 mt -59.48 -56.28 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -61.51 5.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.64 -33.32 32.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.04 -43.6 98.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.948 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 5.4 mmm -71.59 -39.55 70.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -62.32 -39.4 92.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -58.49 -43.78 89.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -128.56 109.96 11.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -70.15 171.96 8.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 178.88 134.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . 0.435 HG13 ' HB2' ' B' ' 675' ' ' ARG . 25.8 t -124.64 146.31 30.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -75.35 178.32 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -139.25 142.38 37.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 129.14 113.47 1.68 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.5 m -153.67 160.56 30.8 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.63 0.728 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.53 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -158.77 155.93 28.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -155.64 144.92 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 157.0 174.39 26.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -173.3 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.626 2.218 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -79.19 167.67 20.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . . . . . . . . . 50.3 mm -58.02 112.52 4.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.606 0.717 . . . . 0.0 111.162 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -172.07 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . 0.437 ' HG ' ' CB ' ' A' ' 645' ' ' SER . 0.3 OUTLIER -80.95 -36.12 31.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 45.8 mm -53.75 -32.64 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . . . . . . . . . . . -51.55 -28.19 13.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 46.1 m -49.29 -31.97 10.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.85 -32.64 80.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.548 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.4 mmt -68.74 -49.07 61.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.421 HG12 HD13 ' B' ' 655' ' ' LEU . 22.8 t -65.29 -53.94 34.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.7 -35.9 69.51 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.3 -50.25 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.814 0.34 . . . . 0.0 111.083 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 61.0 mt -58.58 -49.3 77.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.737 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.74 -57.6 10.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.437 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.53 -42.01 91.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 660' ' ' VAL . 13.4 mt -49.48 -48.36 47.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.503 ' O ' HD13 ' B' ' 662' ' ' LEU . 18.5 mt -67.05 -39.57 86.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.7 t -61.66 -45.03 99.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.113 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.724 HG12 HD11 ' B' ' 664' ' ' ILE . 67.7 t -63.57 -41.09 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.72 -41.17 90.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.503 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.86 -39.45 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.86 -48.9 72.03 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.724 HD11 HG12 ' B' ' 660' ' ' VAL . 7.1 mt -59.54 -56.1 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.896 0.379 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -61.51 5.26 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.474 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.68 -33.35 33.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.959 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.12 -43.28 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 5.4 mmm -69.9 -37.88 76.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -61.04 -38.27 85.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -57.22 -42.34 81.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -127.32 110.14 12.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -69.84 172.06 8.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 6.8 tt 178.93 134.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 25.9 t -124.5 145.42 31.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . 0.435 ' HB2' HG13 ' A' ' 674' ' ' VAL . 10.0 mpt_? -75.8 178.86 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -138.85 141.97 38.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.898 0.38 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 97.85 154.29 29.35 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -149.8 160.53 33.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.96 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 2.1 t -124.82 156.01 38.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -100.82 179.6 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . 167.59 74.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.93 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.237 . . . . 0.0 112.329 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -99.13 178.03 5.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.579 ' CG2' ' HB2' ' A' ' 647' ' ' ALA . 5.0 mp -133.13 133.36 22.98 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.653 0.74 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.743 ' HG2' HD12 ' A' ' 646' ' ' ILE . 54.1 Cg_endo -69.78 -168.0 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.65 2.234 . . . . 0.0 112.388 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 1.8 t -51.25 -29.19 13.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.743 HD12 ' HG2' ' A' ' 644' ' ' PRO . 12.8 mt -49.39 -31.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.076 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.579 ' HB2' ' CG2' ' A' ' 643' ' ' ILE . . . -50.88 -28.31 9.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 69.6 m -47.79 -32.18 5.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -55.24 -32.84 57.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 2.7 mmt -65.67 -55.57 16.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 66.5 t -56.23 -52.2 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.67 -33.43 77.46 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -65.97 -49.36 68.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 111.096 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.76 -50.18 74.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.753 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.52 -57.38 10.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.49 -42.09 91.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.5 mt -49.45 -48.49 47.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 662' ' ' LEU . 3.1 mt -66.79 -39.61 87.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.4 t -61.72 -44.95 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.704 HG12 HD11 ' A' ' 664' ' ' ILE . 77.5 t -63.55 -40.87 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.37 91.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.084 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.72 -39.16 87.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -64.02 -49.0 70.19 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.704 HD11 HG12 ' A' ' 660' ' ' VAL . 7.1 mt -59.53 -56.05 19.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.794 0.33 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.11 -61.41 5.39 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.6 mm? -51.76 -33.24 34.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.334 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.07 -43.6 98.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 53.6 mmm -67.62 -36.45 80.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.858 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 20.5 mtt-85 -65.3 -36.35 83.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -56.81 -49.3 75.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -37.86 86.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -54.3 172.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 7.2 tt 179.49 128.14 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 11.2 p -85.47 147.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.126 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.87 -176.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.28 140.86 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 53.5 ttt-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.916 0.388 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 97.51 153.8 29.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 2.2 m -150.27 160.56 32.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -170.82 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.647 2.231 . . . . 0.0 112.306 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 2.1 t -124.68 154.91 40.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.152 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -102.67 -179.15 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . 169.05 71.78 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -170.98 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -95.98 179.92 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.552 ' CG2' ' HB2' ' B' ' 647' ' ' ALA . 5.0 mp -130.54 133.16 24.53 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.617 0.722 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.789 ' HG2' HD12 ' B' ' 646' ' ' ILE . 54.0 Cg_endo -69.76 -166.93 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 1.8 t -50.77 -29.68 12.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.789 HD12 ' HG2' ' B' ' 644' ' ' PRO . 12.9 mt -49.35 -30.76 4.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.552 ' HB2' ' CG2' ' B' ' 643' ' ' ILE . . . -51.01 -27.98 8.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 78.0 m -47.86 -32.16 5.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -55.62 -32.94 58.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 2.7 mmt -65.84 -54.52 25.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 60.9 t -55.29 -52.01 50.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.62 -33.66 78.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -66.32 -48.85 68.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.328 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 64.1 mt -59.4 -49.78 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.747 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -53.59 -57.53 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.43 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.48 -41.88 90.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.476 HD21 HG21 ' A' ' 660' ' ' VAL . 12.5 mt -49.56 -48.56 48.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.511 ' O ' HD13 ' B' ' 662' ' ' LEU . 3.2 mt -66.83 -39.57 87.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.8 t -61.61 -45.0 99.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.729 HG12 HD11 ' B' ' 664' ' ' ILE . 79.7 t -63.6 -41.0 91.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.24 90.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.511 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.81 -39.36 87.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.93 -48.81 72.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.729 HD11 HG12 ' B' ' 660' ' ' VAL . 7.0 mt -59.6 -56.13 19.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.911 0.386 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -49.02 -61.38 5.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.512 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.47 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.76 -33.32 34.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.853 0.358 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -63.08 -43.52 98.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 53.5 mmm -67.72 -36.07 79.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 21.1 mtt-85 -64.67 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 22.9 mmm-85 -58.98 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -38.1 88.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -54.16 172.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 7.0 tt 179.43 127.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.49 147.38 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.08 -178.35 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.64 141.13 24.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.843 0.354 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -156.21 173.52 34.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.51 156.57 29.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 165.4 31.11 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 82.2 p -144.59 146.44 32.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -94.95 163.67 13.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -112.9 166.81 12.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -171.73 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.313 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -77.56 166.02 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.419 HG23 ' HD2' ' A' ' 644' ' ' PRO . 69.7 mt -70.5 133.06 87.14 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.674 0.75 . . . . 0.0 111.113 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' A' ' 643' ' ' ILE . 53.9 Cg_endo -69.75 -171.14 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 1.1 t -88.59 -35.85 16.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.42 -34.31 69.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . . . . . . . . . . . -52.27 -28.24 18.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.096 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 96.8 m -49.13 -31.99 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.15 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.4 -34.07 83.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 44.1 mmm -70.53 -54.32 12.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . . . . . . . . . 55.7 t -56.53 -50.89 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.18 -40.35 95.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -61.46 -46.04 91.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 63.8 mt -59.57 -49.6 77.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.9 mp -53.95 -57.54 10.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.424 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.51 -42.05 91.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.45 -48.47 47.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 662' ' ' LEU . 18.1 mt -66.88 -39.46 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.8 t -61.72 -45.19 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.719 HG12 HD11 ' A' ' 664' ' ' ILE . 67.8 t -63.39 -41.12 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.24 90.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.053 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.74 -39.36 87.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.85 -49.13 70.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 660' ' ' VAL . 6.9 mt -59.39 -56.13 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 111.144 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.9 -61.61 5.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.7 -33.09 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.24 -43.38 98.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 2.8 mmt -67.52 -41.74 83.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.23 -46.51 76.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 50.34 31.84 5.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 50.9 ttt-85 -59.64 -42.26 92.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -60.48 172.42 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 3.0 tp -179.61 122.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 20.9 m -120.59 161.97 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 -121.59 172.23 8.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 32.2 tptt -141.12 117.72 10.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.9 0.381 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . -156.15 173.54 34.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.45 156.54 29.12 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.636 0.731 . . . . 0.0 110.831 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 165.54 30.65 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.636 2.224 . . . . 0.0 112.348 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 82.2 p -144.32 146.36 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -95.01 163.38 13.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -112.87 167.17 12.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -172.21 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.684 2.256 . . . . 0.0 112.342 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 13.4 tptt -77.47 165.85 23.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.432 HG23 ' HD2' ' B' ' 644' ' ' PRO . 69.5 mt -71.11 133.05 85.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 0.0 111.129 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' B' ' 643' ' ' ILE . 54.1 Cg_endo -69.8 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.351 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 1.1 t -88.72 -36.02 16.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.9 -34.32 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.406 ' HB2' ' HG2' ' B' ' 644' ' ' PRO . . . -52.44 -28.12 18.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.096 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 96.6 m -48.99 -32.21 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -60.6 -34.28 85.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 42.8 mmm -70.83 -54.01 13.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . . . . . . . . . 53.6 t -57.1 -51.05 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -59.2 -40.24 95.54 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -61.61 -46.0 91.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.068 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.55 -49.52 77.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.747 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.9 mp -54.11 -57.51 10.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.439 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.44 -42.11 91.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.894 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.49 -48.37 47.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.516 ' O ' HD13 ' B' ' 662' ' ' LEU . 18.0 mt -66.96 -39.47 87.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.6 t -61.69 -45.16 99.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.718 HG12 HD11 ' B' ' 664' ' ' ILE . 68.2 t -63.44 -41.17 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.3 90.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.516 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.71 -39.27 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.92 -49.2 69.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.439 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.718 HD11 HG12 ' B' ' 660' ' ' VAL . 6.8 mt -59.36 -56.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.864 0.364 . . . . 0.0 111.127 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.91 -61.78 5.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.468 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.5 -33.2 30.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.367 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.19 -43.5 98.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 2.8 mmt -69.01 -42.33 76.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -66.31 -47.34 73.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 50.24 31.93 5.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -59.46 -42.13 91.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -59.38 172.37 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.779 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 2.9 tp -179.75 123.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 20.8 m -120.58 161.2 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 62.4 mtm180 -122.13 172.28 8.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 32.3 tptt -141.13 117.59 10.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.897 0.38 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 108.78 172.16 21.17 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.94 160.51 60.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.597 0.713 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 164.39 34.67 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -126.46 138.83 53.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -134.52 148.35 50.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' GLY . . . . . . . . . . . . . . . -71.1 -177.66 26.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 85.05 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 146.22 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' ILE . . . . . 0.674 ' CG2' ' HB2' ' A' ' 647' ' ' ALA . 26.3 mt -144.46 132.12 10.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.643 0.735 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.76 ' HG2' HD12 ' A' ' 646' ' ' ILE . 53.9 Cg_endo -69.78 -168.74 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.339 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.51 -31.46 15.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' ILE . . . . . 0.76 HD12 ' HG2' ' A' ' 644' ' ' PRO . 7.2 mt -49.52 -31.41 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' ALA . . . . . 0.674 ' HB2' ' CG2' ' A' ' 643' ' ' ILE . . . -50.94 -29.3 11.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.117 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 27.3 m -49.71 -33.12 15.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.22 -32.92 76.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.424 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' MET . . . . . . . . . . . . . 1.7 mmt -68.81 -43.06 76.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' VAL . . . . . 0.668 HG12 HD13 ' A' ' 655' ' ' LEU . 21.6 t -65.73 -58.11 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.59 -33.29 62.35 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.71 -49.54 70.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.12 -48.85 72.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 659' ' ' VAL . 1.8 mp -53.72 -57.61 10.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.463 ' O ' HG23 ' A' ' 660' ' ' VAL . 0.3 OUTLIER -59.69 -41.59 91.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' LEU . . . . . 0.441 HD21 HG21 ' B' ' 660' ' ' VAL . 10.7 mt -49.61 -48.5 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' LEU . . . . . 0.516 ' O ' HD13 ' A' ' 662' ' ' LEU . 6.9 mt -67.08 -39.63 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 655' ' ' LEU . 17.5 t -61.48 -44.76 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.153 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' VAL . . . . . 0.728 HG12 HD11 ' A' ' 664' ' ' ILE . 62.9 t -63.65 -41.74 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.12 87.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 658' ' ' LEU . 9.5 mp -66.89 -39.28 87.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.98 -49.08 69.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' ILE . . . . . 0.728 HD11 HG12 ' A' ' 660' ' ' VAL . 6.7 mt -59.41 -56.11 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 111.123 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.95 -61.73 5.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.513 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 662' ' ' LEU . 3.7 mm? -51.52 -33.27 31.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.17 -43.37 98.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' MET . . . . . . . . . . . . . 6.8 mtt -72.25 -47.92 46.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -60.97 -56.16 24.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 50.31 32.04 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -102.19 130.28 48.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -140.69 172.37 12.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' ILE . . . . . . . . . . . . . 13.7 pt -145.33 168.25 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.09 141.17 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -86.81 169.48 12.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -91.1 135.1 34.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 634' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 635' ' ' GLY . . . . . . . . . . . . . . . 108.79 172.26 21.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.475 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 636' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.82 160.59 60.26 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.573 0.702 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 637' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 164.19 35.46 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 638' ' ' THR . . . . . . . . . . . . . 8.8 t -126.65 139.14 53.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 639' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -134.28 148.0 50.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 640' ' ' GLY . . . . . . . . . . . . . . . -71.52 -177.79 27.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 641' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 85.88 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 642' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.92 146.12 28.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 643' ' ' ILE . . . . . 0.666 ' CG2' ' HB2' ' B' ' 647' ' ' ALA . 25.9 mt -144.6 132.09 10.44 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 644' ' ' PRO . . . . . 0.766 ' HG2' HD12 ' B' ' 646' ' ' ILE . 53.9 Cg_endo -69.74 -168.67 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 645' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -31.42 15.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 646' ' ' ILE . . . . . 0.766 HD12 ' HG2' ' B' ' 644' ' ' PRO . 7.2 mt -49.46 -31.6 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 647' ' ' ALA . . . . . 0.666 ' HB2' ' CG2' ' B' ' 643' ' ' ILE . . . -50.9 -29.32 11.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 648' ' ' THR . . . . . . . . . . . . . 27.4 m -49.76 -33.08 15.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 649' ' ' GLY . . . . . . . . . . . . . . . -68.32 -32.79 76.37 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.445 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 650' ' ' MET . . . . . . . . . . . . . 1.6 mmt -68.98 -43.08 75.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 651' ' ' VAL . . . . . 0.661 HG12 HD13 ' B' ' 655' ' ' LEU . 21.5 t -65.73 -58.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 652' ' ' GLY . . . . . . . . . . . . . . . -56.54 -33.4 62.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.464 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 653' ' ' ALA . . . . . . . . . . . . . . . -64.72 -49.42 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 111.07 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 654' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.25 -48.93 71.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 655' ' ' LEU . . . . . 0.739 ' O ' HG23 ' B' ' 659' ' ' VAL . 1.8 mp -53.63 -57.67 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 656' ' ' LEU . . . . . 0.475 ' O ' HG23 ' B' ' 660' ' ' VAL . 0.3 OUTLIER -59.63 -41.63 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 657' ' ' LEU . . . . . 0.452 HD21 HG21 ' A' ' 660' ' ' VAL . 10.6 mt -49.77 -48.35 50.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 658' ' ' LEU . . . . . 0.515 ' O ' HD13 ' B' ' 662' ' ' LEU . 6.8 mt -67.12 -39.62 86.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 659' ' ' VAL . . . . . 0.739 HG23 ' O ' ' B' ' 655' ' ' LEU . 17.4 t -61.62 -44.67 99.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 660' ' ' VAL . . . . . 0.71 HG12 HD11 ' B' ' 664' ' ' ILE . 62.6 t -63.64 -41.73 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 661' ' ' ALA . . . . . . . . . . . . . . . -59.31 -41.13 88.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.048 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 662' ' ' LEU . . . . . 0.515 HD13 ' O ' ' B' ' 658' ' ' LEU . 9.5 mp -66.88 -39.24 87.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 663' ' ' GLY . . . . . . . . . . . . . . . -63.93 -49.18 69.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 664' ' ' ILE . . . . . 0.71 HD11 HG12 ' B' ' 660' ' ' VAL . 6.7 mt -59.42 -56.1 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 665' ' ' GLY . . . . . . . . . . . . . . . -48.93 -61.72 5.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 666' ' ' LEU . . . . . 0.473 HD23 ' O ' ' B' ' 662' ' ' LEU . 3.7 mm? -51.6 -33.1 31.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.827 0.346 . . . . 0.0 110.925 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 667' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -63.23 -43.52 97.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 668' ' ' MET . . . . . . . . . . . . . 6.8 mtt -72.24 -47.8 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 669' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -60.82 -55.94 27.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 670' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 50.27 32.17 5.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 671' ' ' ARG . . . . . . . . . . . . . 24.5 ttm180 -101.72 130.52 48.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 672' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -140.21 172.4 12.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 673' ' ' ILE . . . . . . . . . . . . . 13.6 pt -145.2 168.86 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 674' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.44 141.63 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 675' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -86.27 169.95 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 676' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -90.79 135.01 34.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 677' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.942 . . . . . . . . 1 1 . 1 stop_ save_