data_2n3k_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 2n3k _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 74.14 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 157.99 36.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 65.55 110.884 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 157.96 58.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 72.2 112.372 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 15.8 mmm -117.09 120.76 39.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 71.1 110.867 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.35 149.23 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.0 110.85 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -51.3 -33.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.935 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -51.04 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 75.11 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -47.66 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.919 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -52.14 -39.61 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.53 110.934 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 64.3 110.865 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -57.0 -23.77 48.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.24 -45.73 25.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -45.9 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.12 -48.59 56.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -52.65 -56.37 15.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.857 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 94.7 mt -51.86 -35.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -72.61 -33.21 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.1 110.934 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.99 -28.7 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.896 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 626' ' ' PRO . 14.7 mt -57.89 154.62 27.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 72.13 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 53.8 Cg_endo -69.78 165.31 31.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 72.33 112.346 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -49.05 -56.34 10.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 74.51 112.483 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -50.43 -38.31 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 73.43 110.912 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.35 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.926 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.46 -47.51 75.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.32 110.959 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.3 -40.28 45.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 62.22 112.509 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -45.27 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 74.12 110.839 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.11 -56.61 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.54 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 19.4 t -51.04 -33.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 75.01 111.114 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -64.32 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 62.43 110.859 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 3.7 mt -56.28 -51.9 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.144 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 5.9 mt -72.16 -31.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.131 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -65.42 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.88 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -27.55 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 54.42 110.866 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.52 -32.85 48.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.658 0.742 . . . . 75.15 110.818 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.804 0.252 . . . . 71.2 112.368 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 10.68 17.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.847 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -144.91 145.38 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.877 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . 0.435 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -142.25 141.92 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.54 111.124 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -116.06 99.67 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 4.8 mt -95.84 109.13 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.18 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -121.23 99.06 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.893 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -58.13 -20.35 39.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.893 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.32 -31.48 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.7 t -117.48 -24.92 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 65.13 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.36 156.97 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.931 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -88.72 163.35 35.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.703 . . . . 64.22 110.902 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -30.08 22.85 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.691 2.261 . . . . 73.4 112.324 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -61.63 -52.52 64.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 63.22 110.814 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 51.6 m -64.12 -45.95 86.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 72.1 111.139 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 3.1 mp -50.41 -57.52 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 73.15 110.944 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -64.19 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.871 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.48 -44.58 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 61.32 110.905 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.15 -35.5 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 74.25 110.898 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -64.04 -33.03 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.43 110.866 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -83.93 -36.28 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.924 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 4.4 p -75.07 -31.97 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 73.23 111.153 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -79.54 -33.0 42.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.11 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.855 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.752 0.311 . . . . 72.34 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -71.12 155.13 41.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.907 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -126.01 167.89 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 75.45 110.901 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 73.2 t -151.7 145.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 74.11 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.3 117.95 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 172.49 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.0 -172.51 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.818 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -60.73 -27.96 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 71.15 110.888 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.52 164.62 0.24 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.679 0.752 . . . . 71.15 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -18.57 37.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 72.24 112.373 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.68 57.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.937 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -103.93 101.83 11.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.874 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.5 mp -92.31 114.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.02 111.097 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.35 106.32 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.902 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . 0.435 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 1.7 mp -99.94 136.1 40.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.916 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 29.5 p -150.32 146.12 26.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.143 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.906 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.868 0.366 . . . . 63.51 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -98.38 153.39 38.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 74.33 110.827 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.71 48.7 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 71.5 112.383 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 7.2 mmm -132.39 132.37 42.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 73.43 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.66 177.07 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.825 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -62.82 -25.99 68.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 74.45 110.935 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -60.72 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 62.43 110.866 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.76 -25.54 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.03 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -70.77 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.847 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -33.22 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.926 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -71.29 -51.85 22.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 61.34 110.905 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -40.59 92.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 71.25 110.989 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 53.6 p -51.6 -47.11 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.876 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.02 -44.24 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.926 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.65 -60.41 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 71.24 110.903 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 87.4 mt -57.83 -35.79 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 75.44 111.159 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.78 -35.71 80.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.87 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -69.04 -28.61 66.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.894 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.17 161.43 73.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 62.21 110.874 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.39 34.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 72.31 112.275 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.11 -39.68 42.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 73.33 112.502 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -49.83 -39.33 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 72.01 110.871 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -70.97 -35.3 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.919 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.924 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.76 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 53.1 112.451 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -72.69 -49.88 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 74.22 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 61.2 t -68.69 -58.55 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 51.44 111.151 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 10.8 m -46.55 -31.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.108 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -67.55 -46.27 73.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 64.12 110.903 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.27 -45.39 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 75.45 111.112 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 2.8 mp -56.2 -60.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.3 111.146 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -62.04 -14.79 39.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.14 110.93 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -42.47 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -105.1 -35.27 7.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.845 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 72.22 110.906 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.188 0 CA-C-O 120.9 0.292 . . . . 71.03 112.398 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 650' ' ' ASP . 0.0 OUTLIER -73.98 -3.29 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.876 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -129.34 138.1 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.865 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.51 139.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 74.3 111.129 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -116.43 98.37 6.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 75.43 110.893 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.32 109.94 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 73.01 111.17 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.33 104.9 8.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 62.21 110.924 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -57.58 -27.7 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 73.11 110.873 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -49.21 -32.8 11.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 55.31 110.94 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.5 t -118.74 -23.72 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.05 111.153 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.84 151.38 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.919 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.52 160.78 44.11 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 74.0 110.935 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.35 10.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.707 2.271 . . . . 75.51 112.346 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -53.47 -48.27 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 57.4 m -74.67 -40.77 61.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 75.43 111.083 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.84 -56.64 15.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.934 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -61.55 -35.76 78.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.939 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -50.41 -35.29 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 74.05 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.06 -49.78 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 74.12 110.914 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -55.84 -26.54 47.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.857 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.79 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.04 110.913 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -77.25 -39.62 47.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.954 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.24 -31.47 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.4 111.151 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 82.7 m -74.36 -33.32 63.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 75.54 111.099 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.01 110.816 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.757 0.313 . . . . 74.44 111.143 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -92.05 155.05 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 74.41 110.905 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -125.51 169.96 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 73.24 110.867 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.52 147.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 74.21 111.191 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -168.14 119.46 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 71.45 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.09 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 73.25 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.09 -174.53 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.871 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.11 -31.14 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.34 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -47.43 164.56 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 74.44 110.955 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.724 2.282 . . . . 75.03 112.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.59 59.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 74.13 110.909 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -107.2 104.45 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.937 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.6 mp -89.04 109.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 74.34 111.142 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.03 105.4 17.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.889 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.4 142.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 54.31 110.943 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 35.9 p -147.77 144.07 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 71.51 111.16 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 75.21 110.869 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.857 0.361 . . . . 70.03 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -88.81 153.38 49.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 75.43 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 152.47 69.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 73.31 112.389 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 66.8 mmm -120.57 131.52 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.54 110.803 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.92 170.49 9.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.13 110.852 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -60.55 -29.31 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.909 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -57.35 -63.15 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 75.31 110.935 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -67.13 -31.29 71.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -64.49 -46.76 81.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.89 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -57.06 -30.21 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.804 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 7.4 tm0? -68.43 -36.01 78.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.897 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.79 -43.0 97.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.921 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -45.09 92.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 71.11 110.861 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.73 -55.31 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 73.32 110.902 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.87 -60.95 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.851 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.5 -47.78 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.154 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.14 -36.08 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.893 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -76.05 -28.61 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.917 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.96 159.79 24.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 74.2 110.917 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 164.43 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.615 2.21 . . . . 74.14 112.271 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.41 -55.51 19.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 71.42 112.5 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -50.08 -37.0 31.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 75.03 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -40.34 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 74.32 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -43.42 81.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.937 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.57 -43.81 36.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.736 . . . . 33.15 112.464 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.04 -46.9 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 73.54 110.844 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 66.6 t -56.89 -55.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 63.01 111.116 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.07 -34.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 75.51 111.139 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -62.35 -33.07 74.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.84 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.3 mt -76.08 -33.23 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 71.45 111.197 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 57.0 mt -77.16 -44.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 74.15 111.161 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.26 -14.4 61.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.21 110.913 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 3.9 m -87.36 -31.38 20.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.834 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.33 -33.61 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.919 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.665 0.745 . . . . 71.53 111.006 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 CA--C 1.526 0.099 0 CA-C-O 120.757 0.232 . . . . 72.34 112.333 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 7.63 23.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.85 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -145.15 141.14 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.882 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.21 143.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.138 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 99.09 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 16.0 mt -89.9 109.07 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 71.35 111.149 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -116.08 89.26 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 70.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -51.18 -28.07 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.792 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.36 -31.47 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.889 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.2 t -114.67 -20.85 10.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 73.23 111.169 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.2 tp -55.37 145.2 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 75.12 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 162.66 38.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 75.41 110.922 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -34.78 13.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.601 2.2 . . . . 74.22 112.349 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -55.56 -43.81 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.824 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 7.1 m -78.31 -37.87 43.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.43 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.23 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.871 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -61.71 -34.44 75.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 75.04 110.886 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.57 -38.36 31.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.866 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.62 -47.6 38.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.31 110.891 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -52.68 -29.63 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.1 110.945 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -36.83 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.86 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -44.63 34.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 61.2 110.863 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.15 -32.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.08 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.5 m -75.71 -33.54 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.3 111.182 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.41 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.756 0.312 . . . . 70.33 111.11 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -76.18 152.27 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.23 167.68 13.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.776 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 85.7 t -150.88 146.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 70.5 111.156 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -147.1 110.31 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.949 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 176.94 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 72.53 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -140.21 -168.97 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.845 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -69.79 -27.67 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.906 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.12 163.87 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.722 . . . . 72.43 110.87 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -18.66 36.95 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 75.04 112.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.43 58.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -112.16 123.18 49.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.906 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.28 118.29 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 75.21 111.129 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.16 106.37 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.874 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 3.0 mp -94.24 134.38 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.942 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 20.7 p -146.65 148.09 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 72.55 111.116 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.877 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.932 0.396 . . . . 70.4 110.838 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -97.57 156.34 36.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 64.03 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.64 68.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 71.42 112.38 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 60.2 mmm -118.44 109.0 15.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.51 110.873 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.1 t -72.02 167.5 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.32 110.902 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -53.79 -27.98 32.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.913 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.76 -61.98 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 75.01 110.921 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.58 -32.06 72.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 75.45 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -62.81 -54.82 33.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.849 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -31.24 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -65.1 -39.18 92.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.24 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.86 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 64.35 110.952 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -51.45 68.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 61.33 110.839 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.95 -53.17 13.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -50.64 -53.97 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.23 110.883 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.81 -27.73 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.43 111.14 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -87.87 -0.72 57.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -100.68 -29.61 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 63.54 110.869 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.422 ' HB2' ' HD2' ' A' ' 626' ' ' PRO . 1.5 pp -70.49 157.74 89.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 65.23 110.911 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 625' ' ' LEU . 53.4 Cg_endo -69.82 163.71 37.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 74.24 112.304 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.65 -45.19 47.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 64.31 112.55 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.54 -39.96 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 73.11 110.886 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -67.74 -38.35 83.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.869 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.408 HD22 ' HG ' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -55.17 -60.64 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.887 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.7 -36.3 8.16 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.749 -0.738 . . . . 72.42 112.459 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.93 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 74.41 110.825 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.11 -57.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.176 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 9.0 m -48.6 -33.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.114 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.67 -42.16 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.824 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.6 mt -53.53 -51.53 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 74.51 111.089 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.22 -64.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.144 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -55.43 -22.43 20.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 71.14 110.855 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.64 75.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.32 110.862 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -121.04 17.77 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 74.34 110.813 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.679 0.752 . . . . 71.14 110.899 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.803 0.251 . . . . 75.1 112.369 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -93.29 23.72 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.845 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -145.44 136.61 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -141.79 141.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 72.34 111.124 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -124.23 98.43 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.832 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 2.2 mp -92.79 109.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 72.15 111.145 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -124.01 95.62 4.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 72.53 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -53.68 -25.51 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.91 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -34.77 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.908 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -117.27 -22.66 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 75.14 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.2 160.44 2.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.926 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 156.8 49.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 75.31 110.912 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -30.81 21.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.617 2.211 . . . . 71.43 112.452 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -42.8 99.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.863 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 7.8 m -73.45 -47.49 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 72.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 3.0 mp -46.2 -54.83 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.958 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.31 -32.83 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.0 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.9 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.43 -47.58 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 71.24 110.908 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -51.68 -38.13 53.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 75.44 110.833 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -62.6 -35.22 78.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.819 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.17 -52.86 6.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.935 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 2.9 p -56.52 -31.21 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 64.44 111.112 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 68.2 m -78.83 -32.32 46.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.1 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.913 -179.87 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.766 0.317 . . . . 75.21 111.165 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -92.46 160.51 15.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.884 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -120.43 172.04 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 9.1 p -143.83 147.17 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 74.33 111.146 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -165.84 123.86 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.13 172.3 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 74.53 110.825 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -133.02 -171.86 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.895 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.55 -27.32 69.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 71.01 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.31 164.75 0.23 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 74.21 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -16.76 37.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 54.41 112.348 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.48 58.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 64.43 110.933 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -107.14 112.37 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.877 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.96 114.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 73.23 111.171 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 105.03 17.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 73.21 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . 0.408 ' HG ' HD22 ' A' ' 630' ' ' LEU . 0.3 OUTLIER -102.96 139.06 39.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 75.13 110.889 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.0 p -151.01 145.65 25.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.162 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.414 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.6 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.53 110.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.916 0.388 . . . . 73.45 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.09 155.8 40.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 74.43 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.07 47.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 62.44 112.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 52.3 mmm -119.1 107.0 12.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.03 110.88 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 12.5 m -59.36 155.67 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.53 -35.69 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 74.03 110.933 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.34 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.886 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -59.44 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 73.02 110.901 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.37 -33.64 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.867 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.16 -40.55 58.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 75.12 110.838 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -73.31 -31.86 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 73.55 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 4.4 mp -63.92 -46.47 84.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.953 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -50.45 72.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.844 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -56.05 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.974 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -50.57 -58.04 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 63.52 110.853 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.78 -35.8 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.41 111.088 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -66.35 -41.45 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -28.61 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.02 110.939 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.49 159.74 8.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.12 110.928 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 164.26 35.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.763 2.309 . . . . 74.12 112.356 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.21 -55.79 17.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 65.24 112.511 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.57 -38.49 31.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 75.14 110.89 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.1 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -47.87 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 73.3 110.94 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.22 -43.66 9.6 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.76 -0.733 . . . . 65.45 112.524 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -67.06 -47.15 72.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 72.41 110.818 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 38.1 t -59.87 -59.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 74.54 111.123 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 11.0 t -51.9 -33.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.42 111.143 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . 0.452 ' HA ' ' HG2' ' A' ' 638' ' ' GLN . 33.4 t60 -63.87 -29.16 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 71.02 110.9 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.78 -38.48 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 75.42 111.118 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 4.2 mp -73.36 -46.35 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.14 111.158 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 635' ' ' HIS . 4.7 pt20 -67.71 -19.55 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.917 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 52.2 m -95.56 -35.76 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.851 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -80.63 -32.8 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 75.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.689 0.756 . . . . 64.31 110.927 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.78 0.242 . . . . 64.2 112.356 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . 0.423 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.94 20.58 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 73.31 110.854 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -147.83 136.52 21.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.882 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.1 142.38 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 73.35 111.133 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -117.0 98.17 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 74.23 110.897 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 14.4 mt -91.48 109.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 71.12 111.1 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -122.83 94.67 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 72.31 110.914 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -57.39 -28.34 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 72.43 110.913 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -51.2 -31.79 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 71.04 110.872 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.4 t -118.29 -23.52 7.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.15 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.3 160.28 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 71.41 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -88.34 158.24 49.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.525 0.679 . . . . 64.32 110.862 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.88 7.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.604 2.203 . . . . 70.35 112.335 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -51.56 -45.66 63.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 25.0 m -73.88 -51.1 17.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 75.42 111.094 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.06 -47.97 22.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.89 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 71.02 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -51.96 -50.03 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.58 -35.09 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.814 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.21 -29.9 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 74.12 110.873 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -35.65 58.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.27 -40.6 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.938 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.17 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 72.24 111.14 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.2 m -78.39 -28.19 46.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 43.21 111.115 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.835 -179.823 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.876 0.369 . . . . 74.44 111.124 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -85.7 172.34 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.887 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.34 165.1 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.834 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 3.0 p -135.01 148.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 55.3 111.137 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -136.39 96.27 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.922 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 157.39 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.54 110.849 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.1 t -129.69 -178.29 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.41 110.887 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -57.39 -25.09 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -45.99 162.33 0.24 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.72 . . . . 74.34 110.92 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -20.79 34.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.744 2.296 . . . . 74.11 112.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.49 60.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.955 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -112.56 117.7 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.815 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.77 109.86 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 73.14 111.188 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -84.29 101.21 11.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.835 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.85 137.38 33.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 73.42 110.928 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 19.0 p -147.92 143.9 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.43 111.173 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.891 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.85 0.357 . . . . 70.42 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -90.65 154.67 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 74.31 110.813 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 159.95 51.46 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.663 2.242 . . . . 71.41 112.294 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' MET . . . . . 0.419 ' HG3' ' HB3' ' A' ' 664' ' ' LEU . 23.7 mmm -141.98 128.65 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.906 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.77 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 61.25 110.866 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -50.93 -35.35 32.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.911 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.28 -33.31 58.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.32 110.903 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -62.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 75.43 110.878 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 656' ' ' PHE . 25.6 mmmt -61.92 -28.89 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.21 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.927 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -73.04 -33.9 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.926 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -38.13 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.915 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -45.61 80.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 73.13 110.872 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -54.93 40.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 75.15 110.893 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -51.89 -53.79 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.875 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.03 -37.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 71.03 111.129 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -64.69 -41.28 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -28.39 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.907 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.407 ' HB3' ' HD2' ' A' ' 626' ' ' PRO . 24.3 mt -66.84 160.09 71.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.696 0.76 . . . . 73.23 110.851 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 54.0 Cg_endo -69.79 164.42 34.63 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.665 2.244 . . . . 71.35 112.358 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.67 -39.54 38.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 62.01 112.482 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -49.73 -38.79 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 74.13 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -45.67 58.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 74.2 110.866 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -55.57 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 72.42 110.89 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.37 -40.65 11.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 71.53 112.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -76.62 -45.88 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.12 110.837 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.42 -63.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 74.11 111.111 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 10.9 m -50.31 -29.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.43 111.13 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -64.99 -35.11 80.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.71 -46.26 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 2.4 mp -50.81 -61.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.167 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -51.48 -29.45 16.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 64.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 t -64.52 -33.04 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.24 110.84 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -120.25 19.23 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 75.01 110.905 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.783 0.243 . . . . 73.33 112.378 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.6 1.71 32.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 61.25 110.909 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.83 139.91 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.91 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 1.1 tt -142.05 144.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 74.01 111.129 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -119.94 96.7 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 70.53 110.933 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 8.5 mt -85.97 112.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.1 111.084 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.53 114.93 17.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.41 110.839 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . 0.464 ' HA ' ' HB2' ' A' ' 659' ' ' LEU . 0.1 OUTLIER -55.03 -31.34 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.941 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.16 -17.82 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 72.51 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.0 p -118.68 -26.85 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.125 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 13.6 mt -58.99 135.67 57.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.02 110.936 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 165.24 25.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.536 0.684 . . . . 74.44 110.91 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.28 33.84 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.677 2.251 . . . . 73.31 112.331 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.67 -44.62 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 74.4 110.849 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.6 m -58.48 -55.41 35.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.193 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.419 ' HB3' ' HG3' ' A' ' 610' ' ' MET . 0.0 OUTLIER -50.73 -49.53 57.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 72.23 110.898 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -31.71 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.863 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -76.0 -38.86 56.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.891 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.12 -59.95 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 75.53 110.941 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.64 -34.32 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.896 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -62.77 -33.82 75.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 73.21 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.73 -52.93 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.899 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 4.1 p -58.06 -31.22 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 74.32 111.173 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 89.5 m -79.81 -29.72 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.129 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 64.1 110.903 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.727 0.299 . . . . 65.23 111.114 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -93.13 155.61 17.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 70.3 110.927 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -125.75 160.47 29.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.3 126.55 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.177 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -138.72 97.11 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 175.77 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.928 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.9 t -136.07 -177.54 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.853 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -22.79 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.927 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.04 164.02 0.21 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 72.02 110.934 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.48 37.53 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 74.04 112.324 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -177.33 58.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.1 110.889 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -108.04 129.25 55.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.901 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.6 116.4 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.53 111.171 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.84 98.34 11.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.895 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -97.95 135.12 40.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.959 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 12.1 p -142.49 145.56 33.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.43 111.108 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.934 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.867 0.365 . . . . 61.24 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -97.59 153.48 38.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 75.11 110.93 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.09 47.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.26 . . . . 64.14 112.391 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 41.5 mmm -127.83 107.27 9.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 71.2 110.896 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.6 169.85 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.47 -26.74 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.88 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.9 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 63.41 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.45 -23.92 67.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.895 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -74.36 -49.22 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 71.24 110.867 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -50.76 -32.05 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.858 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 25.5 tp60 -74.93 -48.03 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.955 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -39.76 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.98 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.14 110.882 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.55 -50.77 23.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 72.31 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.62 -52.11 50.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.878 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 63.2 mt -67.41 -33.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 75.41 111.156 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.931 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -73.14 -28.64 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.895 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 626' ' ' PRO . 24.4 mt -61.97 159.96 32.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 74.22 110.947 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 54.6 Cg_endo -69.65 164.61 33.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 74.11 112.414 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.97 -40.56 43.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 62.52 112.488 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.5 -39.02 32.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 73.51 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -71.36 -38.08 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.968 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -65.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.878 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.86 -35.42 3.27 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.76 -0.733 . . . . 75.55 112.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -73.75 -50.78 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 74.44 110.914 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 40.1 t -68.49 -58.76 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.53 111.133 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 15.9 m -46.97 -32.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 72.22 111.079 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -67.46 -43.05 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.829 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.84 -50.71 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 75.12 111.116 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 4.0 mp -50.95 -66.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.14 111.135 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -52.33 -26.44 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 62.42 110.837 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -32.4 74.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 63.24 110.884 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.28 17.12 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.852 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 75.11 110.878 -179.891 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.785 0.244 . . . . 73.42 112.335 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.48 -0.96 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.825 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -145.03 115.84 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 70.52 110.895 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.93 141.63 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 73.23 111.118 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -121.81 97.65 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 63.43 110.923 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 11.0 mm -85.57 110.21 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 73.43 111.184 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -128.06 103.29 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -61.58 -27.42 68.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 75.44 110.83 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.38 -29.98 17.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 74.15 110.882 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -117.35 -26.58 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 75.11 111.095 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.25 154.06 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.23 110.921 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -88.41 161.02 43.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.609 0.719 . . . . 75.12 110.89 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -35.22 13.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 75.33 112.304 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.19 -49.14 72.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.34 110.804 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 25.6 m -68.92 -47.95 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 75.2 111.139 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 3.5 mp -50.76 -51.05 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.89 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -34.94 79.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.837 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -41.94 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.891 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.07 -49.68 71.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.907 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -53.73 -30.94 46.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.809 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.83 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 75.33 110.878 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -80.03 -36.15 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.905 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 5.0 p -78.18 -36.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.13 111.113 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 10.0 t -66.2 -32.62 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.103 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.86 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.823 0.344 . . . . 75.33 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . 0.412 ' CZ2' ' HG3' ' B' ' 405' ' ' ARG . 13.4 m95 -84.32 165.6 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -143.68 171.16 14.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 73.31 110.867 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.22 148.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 73.3 111.15 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -164.23 94.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.25 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.864 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 t -135.16 -169.53 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.83 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -66.83 -27.65 67.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.966 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.94 163.63 0.24 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 72.44 110.883 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -20.55 34.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 73.04 112.396 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.57 58.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.912 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -110.48 120.68 43.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.928 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -108.11 116.12 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.54 111.102 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.21 99.45 11.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.855 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -99.17 143.24 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.43 110.908 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 81.8 p -145.94 142.16 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.41 111.145 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.412 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 3.7 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.873 0.368 . . . . 74.44 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -92.07 153.54 43.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 71.35 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 75.33 112.33 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 4.8 mmm -125.9 130.88 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.871 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.67 162.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 60.52 110.933 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -57.94 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.998 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.94 -62.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 75.33 110.929 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.28 -33.65 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.76 -50.25 69.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.858 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -53.15 -29.19 29.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.899 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 58.1 tp60 -71.96 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.935 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 3.4 mp -68.32 -46.56 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 70.1 110.947 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.8 t -55.61 -44.1 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.84 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.15 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.958 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -50.13 -61.79 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.863 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 67.2 mt -50.66 -38.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.131 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -65.98 -34.24 77.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 64.15 110.881 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -70.3 -29.23 65.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 71.03 110.911 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.21 160.62 74.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.618 0.723 . . . . 74.31 110.949 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 164.48 34.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 71.05 112.326 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.06 48.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.712 . . . . 41.51 112.479 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -49.59 -39.7 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 63.13 110.88 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -42.05 78.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.915 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 2.4 tt -66.86 -39.87 87.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 75.51 110.926 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -52.59 -40.18 54.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 71.12 112.504 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -71.27 -36.66 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 73.53 110.929 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.83 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.147 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.41 HG22 HD11 ' A' ' 652' ' ' ILE . 3.2 p -50.97 -34.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.147 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -62.8 -33.7 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.91 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.87 -53.84 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 52.33 111.162 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 4.4 mp -55.18 -51.55 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 74.51 111.151 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -66.99 -13.94 62.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.947 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -88.92 -48.46 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.84 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.45 -30.05 42.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.823 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 63.02 110.928 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.724 0.218 . . . . 62.43 112.324 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -3.23 39.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 74.13 110.911 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -138.66 134.44 33.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.891 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -142.77 144.13 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 43.24 111.091 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.0 99.04 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.34 108.49 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 71.54 111.146 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -125.94 96.99 4.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 64.41 110.888 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -56.16 -22.98 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.839 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -56.53 -32.54 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -119.05 -24.7 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 65.23 111.191 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 158.84 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.958 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -88.94 162.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.522 0.677 . . . . 75.44 110.963 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -31.31 20.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.242 . . . . 64.34 112.332 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -60.04 -49.2 78.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 75.34 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 14.2 m -71.19 -35.7 71.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.35 111.09 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.84 -60.66 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.55 110.895 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -58.47 -34.21 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.911 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.61 -44.94 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.879 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.63 -41.78 87.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.968 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -64.96 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.912 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.38 -28.77 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 73.05 110.84 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.75 -41.5 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.89 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.41 -35.25 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.34 111.102 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 5.5 t -68.69 -31.75 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.145 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.889 -179.824 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.655 0.264 . . . . 75.22 111.17 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . 0.403 ' CZ2' ' HG3' ' B' ' 405' ' ' ARG . 6.1 m95 -70.18 156.45 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 72.41 110.909 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -135.05 173.0 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.86 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 97.3 t -150.71 141.33 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 65.33 111.059 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -135.89 110.67 8.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 73.13 110.896 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.6 167.29 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.7 t -133.79 -174.72 3.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 61.13 110.873 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.9 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.912 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.3 m120 -46.0 163.21 0.23 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.674 0.75 . . . . 72.34 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.724 2.283 . . . . 73.21 112.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.43 59.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . 0.408 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 23.0 ttmt -112.17 113.15 25.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.818 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -112.5 115.19 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.148 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 102.63 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 4.4 mp -85.65 136.77 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.932 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.8 p -147.17 144.8 29.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.124 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.403 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 27.5 mtp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 75.13 110.838 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.859 0.361 . . . . 70.14 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 152.65 38.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 75.33 110.842 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.67 147.94 64.56 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.735 2.29 . . . . 75.2 112.415 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 22.9 mmm -112.32 128.98 56.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.2 m -97.41 178.89 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.833 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -70.46 -26.07 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 72.11 110.909 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -55.97 28.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 75.32 110.867 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -26.82 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -70.83 -59.63 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 71.4 110.897 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.56 -33.74 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.945 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -71.93 -44.11 64.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.909 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -45.81 74.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.963 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.5 p -50.68 -41.72 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.5 110.854 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.29 -47.65 15.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.45 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -51.4 -53.51 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.93 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.42 -35.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.03 111.122 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -63.58 -41.68 98.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.55 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -71.83 -28.49 63.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.87 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 3.2 mp -67.49 162.34 57.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.612 0.72 . . . . 64.41 110.891 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 163.08 39.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.782 2.321 . . . . 75.41 112.371 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.39 -43.24 51.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 65.33 112.547 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.31 -37.92 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 75.51 110.844 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -44.24 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.895 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -61.08 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.965 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -40.55 -38.09 1.4 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.773 -0.727 . . . . 74.44 112.512 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -50.11 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 72.32 110.91 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.85 -55.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.15 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 9.3 m -48.51 -30.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 72.53 111.037 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -70.99 -39.3 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.778 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.2 mt -56.08 -36.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.04 111.134 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.54 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.127 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -51.41 -24.48 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.05 110.873 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 p -69.9 -39.08 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 65.25 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.78 17.67 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 121.687 0.756 . . . . 73.31 110.888 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.774 0.239 . . . . 63.13 112.337 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -5.5 30.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 72.34 110.825 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -128.33 129.77 46.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 63.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -142.11 144.46 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 72.51 111.11 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.15 99.72 6.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 72.5 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -90.86 118.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 73.11 111.116 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.03 98.37 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 63.25 110.915 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.19 -27.77 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.902 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.29 -30.75 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -118.93 -25.26 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 72.43 111.199 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.95 154.14 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 63.53 110.894 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -88.64 160.15 45.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 74.34 110.84 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -36.9 10.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 73.34 112.311 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 30.3 t -51.95 -49.65 62.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 72.42 110.852 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 97.4 m -74.92 -47.53 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 71.22 111.165 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -57.25 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.901 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -58.04 -35.93 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.05 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.44 66.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.931 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.28 -53.75 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 53.02 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.94 -30.37 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 73.24 110.903 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -35.7 66.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.835 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -79.26 -50.03 11.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.887 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.62 -32.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 72.33 111.12 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.9 m -72.47 -44.83 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.167 -0.47 . . . . 73.01 111.203 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.857 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.765 0.317 . . . . 75.3 111.093 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -92.3 155.37 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 75.42 110.9 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -127.41 -179.96 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.849 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.96 130.82 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 65.54 111.055 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -137.4 110.94 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 71.24 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.6 167.71 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.804 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.6 t -135.6 -171.72 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 61.31 110.851 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -30.33 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 74.33 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.49 164.27 0.25 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 73.42 110.881 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -15.8 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.267 . . . . 73.23 112.327 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.34 58.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 75.2 110.831 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -110.64 102.12 10.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 73.41 110.889 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.1 pt -97.08 114.4 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.52 111.079 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 107.24 15.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.866 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.25 138.71 34.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.932 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 29.0 p -146.97 143.13 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.143 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.843 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.882 0.373 . . . . 64.31 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -98.94 153.15 37.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 73.54 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 161.29 46.51 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.624 2.216 . . . . 73.24 112.352 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 7.2 mmm -126.7 107.13 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.896 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 164.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 71.04 110.818 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.36 -35.02 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 72.42 110.994 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.81 -52.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.917 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -62.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 75.14 110.887 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 0.4 OUTLIER -56.73 -39.41 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 72.31 110.928 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -39.2 58.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 75.3 110.856 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -67.66 -30.14 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.74 -50.23 69.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.914 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 62.8 p -53.16 -44.96 68.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.35 110.817 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.64 -60.68 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.879 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -48.67 -61.35 2.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.832 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 99.0 mt -49.76 -37.2 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.088 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.18 -35.16 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.862 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -69.3 -29.28 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.04 160.64 80.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.625 0.726 . . . . 75.23 110.87 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 164.21 35.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 73.13 112.326 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.37 -41.88 48.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 73.11 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.03 -38.48 37.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 74.35 110.818 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -50.0 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.1 110.863 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -46.47 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 74.3 110.849 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.84 -42.26 37.46 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 74.3 112.425 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -69.12 -35.11 76.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 64.33 110.925 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.17 -58.26 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 74.03 111.107 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 2.9 p -50.17 -29.94 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 74.31 111.142 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.73 -38.66 87.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.835 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.84 -56.73 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.35 111.138 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 4.3 mp -50.4 -57.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.21 111.127 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -57.81 -20.37 35.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 74.03 110.8 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.97 -31.51 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.88 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.26 16.45 22.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.706 0.765 . . . . 74.22 110.896 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.787 0.244 . . . . 74.51 112.355 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.83 21.3 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.896 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -148.57 136.73 21.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . 0.497 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.26 143.92 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.53 111.177 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -116.98 97.34 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.915 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 24.5 mt -89.17 108.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.122 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.72 94.13 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 64.15 110.85 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' A' ' 615' ' ' LYS . 22.4 m-85 -57.98 -26.36 62.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 75.05 110.853 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.6 -31.44 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.803 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.9 t -117.96 -25.35 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 70.42 111.113 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -55.76 160.38 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 75.02 110.916 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.01 160.75 45.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 73.0 110.906 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -37.1 9.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 73.03 112.447 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -47.56 73.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 63.23 110.829 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 5.0 m -70.8 -39.04 73.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 61.11 111.133 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -60.66 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.911 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -32.97 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -36.37 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 75.05 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.73 -45.36 44.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.35 -29.65 66.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -34.9 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -77.92 -44.92 25.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.11 -33.27 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 70.24 111.16 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.2 m -74.83 -34.57 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 71.44 111.189 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 73.43 110.854 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.8 0.333 . . . . 73.43 111.108 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -72.67 154.63 40.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 75.51 110.944 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -131.41 173.6 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 61.32 110.866 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 91.4 t -150.64 144.36 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 74.05 111.144 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.66 108.9 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.862 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.4 168.71 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 75.51 110.829 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 2.6 t -135.1 -167.67 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 62.33 110.854 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -70.31 -28.21 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 75.2 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -47.09 164.2 0.23 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 60.41 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.648 2.232 . . . . 70.31 112.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.17 59.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 74.43 110.91 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.01 113.68 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.9 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.4 114.04 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.194 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 103.92 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . 0.497 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 4.7 mp -87.11 136.77 32.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 72.52 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 17.1 p -146.63 145.65 30.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.41 111.174 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 75.21 110.928 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 73.05 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 155.19 37.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 74.14 110.884 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 161.22 46.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.22 112.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 72.7 mmm -133.22 117.3 17.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 71.05 110.906 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.87 175.12 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 64.42 110.874 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -52.76 -28.81 23.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.938 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -60.72 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 65.41 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 65.03 110.987 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -73.69 -57.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 75.41 110.887 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -28.8 9.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.869 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -72.75 -40.91 65.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.03 110.874 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.08 -31.7 71.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 50.5 p -72.05 -37.39 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 62.53 110.832 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.42 -50.34 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 72.43 110.954 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -60.57 2.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.839 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 42.3 mt -54.33 -36.96 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.43 111.08 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.08 -41.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.32 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -72.1 -28.81 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 75.52 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 3.2 mp -60.93 161.53 15.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 72.52 110.912 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.1 35.81 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.744 2.296 . . . . 73.21 112.375 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.21 -54.05 25.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 63.24 112.534 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.69 -38.44 32.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.4 . . . . 71.54 110.893 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -57.76 6.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.857 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.48 -40.43 71.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 72.53 110.849 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.98 -38.96 47.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 61.32 112.417 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -39.53 78.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 74.43 110.803 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.28 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.31 111.153 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 3.4 p -51.35 -31.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 72.42 111.138 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.98 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.791 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.47 -58.97 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 70.35 111.089 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.2 -26.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.44 111.157 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -63.45 -39.32 94.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.934 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -24.87 16.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.864 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -78.53 -30.85 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 73.24 110.927 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.176 0 CA-C-O 120.833 0.264 . . . . 75.54 112.359 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.48 21.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.806 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -148.05 140.31 24.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 72.42 110.863 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.51 144.28 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 75.24 111.142 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -114.97 99.04 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.907 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 17.5 mt -97.45 108.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 74.15 111.125 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.2 101.15 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.899 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -61.32 -17.65 54.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 72.31 110.827 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.51 -30.83 71.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.878 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.3 t -116.97 -25.12 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.088 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.56 160.17 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.904 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 162.3 40.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 73.41 110.856 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -28.32 25.04 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.641 2.227 . . . . 62.12 112.33 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -55.08 20.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.871 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 28.2 m -61.5 -44.17 97.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.51 111.145 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 1.4 mp -51.29 -60.55 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.896 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.48 -34.06 73.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 73.54 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -38.77 48.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.848 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.97 -39.37 61.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.912 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -68.76 -22.74 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.907 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.39 -34.91 47.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.817 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.92 -36.55 56.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.896 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.12 -32.77 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.135 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.6 m -73.04 -32.09 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 71.43 111.125 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.875 -179.855 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 72.42 111.118 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -73.34 156.01 38.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.873 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -134.47 168.21 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.844 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 84.6 t -150.86 146.57 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 75.24 111.083 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.43 118.81 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.93 150.1 24.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 71.41 110.871 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.4 m -172.12 165.48 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 71.14 110.847 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -77.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 65.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.64 163.65 3.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.671 0.748 . . . . 75.52 110.822 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -20.08 34.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.633 2.222 . . . . 70.42 112.321 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.82 57.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.868 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -109.87 103.95 12.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.908 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.2 pt -94.1 121.32 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 75.14 111.177 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -92.02 104.82 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 75.05 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 4.8 mp -87.61 134.8 33.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 72.32 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.3 p -149.43 143.01 25.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 71.3 111.13 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 24.4 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.823 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 70.22 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -96.58 153.42 38.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 75.45 110.837 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.74 2.293 . . . . 53.2 112.316 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 41.5 mmm -118.24 131.49 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 72.43 110.868 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.19 145.98 35.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.84 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -58.54 -30.53 67.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 64.23 110.871 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.69 -62.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 65.13 110.848 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -43.86 92.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 74.54 110.856 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -55.2 -46.66 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.86 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -52.14 -30.92 28.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.897 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 40.5 tp60 -68.47 -35.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.84 -44.84 84.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.902 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 4.5 m -51.88 -45.64 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 74.4 110.846 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.45 -52.35 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 75.22 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -50.47 -61.13 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 53.14 110.926 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 49.7 mt -55.79 -35.6 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.114 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.9 -41.3 91.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -28.57 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.833 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.18 162.02 74.96 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 70.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 163.67 37.31 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.742 2.295 . . . . 73.41 112.388 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.97 -38.97 47.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 72.04 112.517 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.79 -39.08 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 75.23 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 2.4 mmpm? -71.28 -44.87 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.914 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -56.88 13.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.95 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.09 -34.83 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 63.55 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -74.74 -49.97 19.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 73.12 110.864 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.02 -58.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 72.14 111.136 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 14.9 m -49.72 -31.41 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 74.45 111.116 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -67.72 -36.76 81.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.82 -32.16 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.25 -47.03 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 75.53 111.095 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.21 -14.79 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.973 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.1 t -96.09 -35.1 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 62.32 110.878 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -88.21 -33.35 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 65.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 61.43 110.876 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.789 0.245 . . . . 64.13 112.339 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -5.05 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.957 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -135.58 132.49 37.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 70.34 110.862 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -142.15 143.98 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 71.22 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.94 97.55 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.879 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 42.0 mt -90.61 108.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.16 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.2 102.93 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 65.3 110.852 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -62.27 -17.17 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.818 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -67.31 -34.09 76.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 11.8 t -108.64 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 72.03 111.12 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 160.73 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 73.51 110.907 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.28 163.03 38.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 70.22 110.923 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -27.67 26.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 71.0 112.37 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -52.67 55.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.53 110.894 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.2 m -64.99 -44.66 88.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 73.24 111.17 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 2.5 mp -46.21 -58.11 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.888 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -66.1 -43.63 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.31 110.856 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -50.42 57.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.859 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.89 -50.98 56.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.875 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -34.34 75.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.851 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -33.11 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.807 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -80.96 -61.07 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.942 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 3.9 p -51.67 -31.34 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 73.4 111.122 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 76.9 m -73.76 -39.35 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.156 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 54.11 110.859 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.792 0.33 . . . . 74.42 111.146 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -91.48 174.99 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.869 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -141.02 163.19 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.819 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 13.1 p -132.37 133.61 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.149 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -137.51 109.66 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.24 110.936 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 163.97 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 63.44 110.863 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 6.8 t -133.95 176.89 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.809 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -55.0 -26.83 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -46.69 163.07 0.24 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 64.23 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.96 37.21 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.756 2.304 . . . . 71.33 112.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.79 61.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 75.35 110.929 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -112.93 126.88 55.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.96 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.21 107.96 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 74.22 111.086 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 99.15 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 74.43 110.823 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -90.99 136.19 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 72.24 110.93 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 20.3 p -144.85 144.73 31.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.154 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.2 mtp85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.31 110.837 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 63.52 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 153.53 43.85 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 73.32 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 75.31 112.329 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 2.2 mmm -119.98 111.1 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.884 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.92 154.03 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.896 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 616' ' ' ARG . 42.6 p90 -49.92 -39.31 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.94 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -59.37 5.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 73.11 110.832 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.6 -58.53 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 73.4 110.888 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 14.2 ptpt -59.24 -33.91 71.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.885 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 612' ' ' TYR . 0.4 OUTLIER -52.06 -37.03 52.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.94 72.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 72.41 110.951 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 88.9 mt -51.6 -43.19 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.927 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.5 t -65.97 -55.04 18.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.853 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.9 -59.74 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.917 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.92 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 73.13 110.843 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 93.1 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 74.11 111.08 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.49 -38.62 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.89 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -28.67 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.835 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 23.8 mt -61.06 159.62 26.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 74.44 110.964 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.44 34.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 75.35 112.342 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.19 -44.64 57.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.761 -0.733 . . . . 72.13 112.434 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -50.15 -38.95 41.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 73.24 110.809 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -40.72 73.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.905 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -63.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 75.31 110.968 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.56 -35.99 4.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 62.42 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.83 -53.54 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 75.42 110.847 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.41 -56.81 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.02 111.138 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 12.4 m -48.92 -32.36 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 74.32 111.153 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -67.12 -38.03 84.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.866 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.6 mt -62.53 -47.11 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.136 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 10.5 mt -54.14 -64.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 73.21 111.093 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.8 -24.65 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 65.23 110.916 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -35.82 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.889 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -115.12 17.28 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 74.43 110.924 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.684 0.754 . . . . 73.33 110.96 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.791 0.246 . . . . 63.1 112.356 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -92.29 23.02 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.846 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -145.44 135.3 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 70.52 110.826 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . 0.413 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.3 OUTLIER -138.45 140.65 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 65.35 111.13 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -119.68 98.3 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.897 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 26.1 mt -84.76 110.35 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.43 111.14 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -126.42 90.09 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.54 110.868 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 615' ' ' LYS . 20.1 m-30 -57.65 -29.18 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 75.44 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.56 -30.35 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.916 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.1 t -117.3 -25.4 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.44 111.121 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -56.02 155.97 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.899 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -88.89 162.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 74.41 110.858 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -32.2 18.77 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.617 2.212 . . . . 74.14 112.342 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.65 -51.72 64.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 72.25 110.81 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 90.2 m -67.24 -40.86 86.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 73.11 111.121 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.03 -53.76 30.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.905 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -33.53 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 70.42 110.866 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.23 -50.54 61.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.67 -38.06 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 75.55 110.891 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -60.6 -28.29 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.95 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -36.14 63.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 74.14 110.934 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -76.97 -46.27 24.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.917 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.58 -32.67 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 74.14 111.094 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.6 m -74.05 -34.84 64.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.129 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 72.42 110.805 -179.82 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.813 0.34 . . . . 73.1 111.141 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -91.77 153.21 19.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.88 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -119.27 172.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 8.9 p -140.31 131.94 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 73.15 111.194 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -141.56 112.27 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 164.54 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.811 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.3 p -127.62 -175.21 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -68.01 -26.81 66.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.902 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -47.04 165.09 0.21 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 75.5 110.91 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.57 30.56 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.695 2.263 . . . . 74.33 112.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.93 57.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 75.11 110.881 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -106.22 136.23 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.873 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -134.71 112.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 75.33 111.153 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.46 96.96 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.874 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 1.2 mp -96.34 139.61 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.882 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 14.8 p -148.27 147.43 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.224 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.405 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.4 mtp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 74.24 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.863 0.364 . . . . 74.43 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 159.18 31.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 73.15 110.832 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 161.29 46.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 70.13 112.379 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 60.1 mmm -126.95 113.88 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.846 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.77 159.23 22.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 65.14 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -65.33 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.975 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.03 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 63.41 110.91 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -55.88 -30.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -71.75 -41.03 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 72.41 110.842 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -51.79 -32.13 29.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 74.3 110.817 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 15.0 tp60 -79.39 -34.45 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -42.63 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 73.53 110.887 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.2 p -59.22 -45.3 91.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.797 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.36 -53.37 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 64.44 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -51.65 -61.2 2.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.842 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 76.6 mt -52.93 -37.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.073 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.43 -35.64 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -28.7 61.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.849 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.89 161.6 11.67 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.642 0.735 . . . . 63.43 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.18 35.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.262 . . . . 70.32 112.349 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -55.87 -34.3 61.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 63.13 112.455 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.82 -40.82 92.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 75.41 110.866 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -72.93 -43.38 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.864 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.54 -47.14 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 74.41 110.899 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -47.29 -43.1 18.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 73.41 112.511 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -62.87 -47.7 82.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 75.24 110.867 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.61 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 74.41 111.107 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 44.0 t -50.5 -29.14 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.32 111.158 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -67.38 -35.84 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.857 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.7 mt -68.97 -36.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.106 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 46.0 mt -72.68 -54.43 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.099 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -61.52 -18.09 57.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 65.43 110.918 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 36.0 t -96.18 -34.11 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.02 110.911 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.18 -32.6 44.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.511 . . . . 72.14 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.684 0.754 . . . . 73.31 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.833 0.264 . . . . 74.43 112.325 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.35 22.9 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.861 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.29 134.07 22.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.911 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.2 OUTLIER -141.87 137.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.112 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -115.81 97.5 6.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.88 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 9.7 mt -91.76 109.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 73.41 111.169 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -127.86 97.05 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.866 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.82 -19.39 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.898 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.17 -29.5 70.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.966 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.4 t -118.58 -26.31 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 75.44 111.112 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 158.34 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.994 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -88.25 161.45 43.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 72.02 110.816 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -31.68 19.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 64.25 112.318 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.19 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 54.3 110.918 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 91.6 m -64.22 -38.34 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 74.43 111.141 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 1.6 mp -52.83 -60.84 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 74.04 110.869 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 71.04 110.938 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.65 -35.72 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 64.31 110.938 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.13 -43.19 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 61.03 110.868 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.49 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.845 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -35.58 63.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 71.01 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -79.02 -46.67 17.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 74.42 111.001 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 9.9 p -57.18 -32.38 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 75.11 111.139 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.3 m -73.3 -42.31 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 75.33 111.08 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 73.05 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 73.53 111.113 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -85.59 160.32 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -139.41 161.97 36.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.51 159.66 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 73.53 111.131 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.7 101.62 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.947 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 157.84 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.42 110.817 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.75 -179.52 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 63.13 110.819 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -55.26 -26.2 38.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 74.53 111.004 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -46.04 162.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.659 0.742 . . . . 74.3 110.838 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -19.38 36.32 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.244 . . . . 75.31 112.318 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.96 60.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -112.18 118.92 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 75.15 110.898 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.26 109.0 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 73.12 111.126 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.23 100.0 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.915 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 0.5 OUTLIER -83.15 144.34 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 55.14 110.921 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 39.7 p -151.9 144.06 23.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 71.21 111.221 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 23.0 mtp85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 73.41 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 155.75 36.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.459 0.647 . . . . 75.45 110.967 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.05 54.86 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.27 . . . . 74.1 112.318 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 56.9 mmm -135.06 113.27 11.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 72.25 110.944 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.5 110.923 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -64.37 -28.87 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 75.04 110.947 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.5 . . . . 72.43 110.862 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -68.47 -33.03 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.875 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -60.4 -57.69 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.978 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -51.66 -33.28 32.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.831 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -34.3 76.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.942 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 40.4 mt -69.89 -53.94 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.91 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 3.1 p -51.0 -37.97 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.841 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 71.41 110.905 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.14 -61.04 2.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 74.43 110.841 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.79 -40.55 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.096 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.58 -41.53 99.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.03 110.813 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -69.34 -28.41 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 70.35 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 3.6 mp -62.35 160.48 32.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 75.31 110.909 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 165.06 32.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 75.42 112.346 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.2 -57.66 9.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 71.42 112.475 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -50.19 -39.7 44.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 72.15 110.89 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -67.19 -40.31 86.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 73.23 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -49.19 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.882 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.29 -39.35 5.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.41 112.494 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -48.8 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 73.04 110.817 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 31.4 t -61.06 -56.02 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 75.24 111.172 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 16.6 t -50.62 -33.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.078 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -64.6 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 74.44 110.895 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.2 mt -69.1 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 65.9 mt -54.06 -44.37 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 111.128 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -70.44 -14.3 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 54.04 110.903 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.3 m -90.65 -35.67 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -32.76 16.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 71.01 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.612 0.72 . . . . 74.12 110.892 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.464 -0.225 0 CA-C-O 120.826 0.261 . . . . 74.25 112.354 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 6.19 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.827 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.42 136.78 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 72.42 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.18 141.82 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 74.5 111.099 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -118.19 98.33 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.836 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.85 108.88 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 75.24 111.179 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' B' ' 400' ' ' LYS . 0.0 OUTLIER -109.27 96.38 6.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.808 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -56.4 -26.15 52.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.841 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -56.95 -40.27 76.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 63.31 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 8.8 t -104.51 -19.75 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 64.0 111.117 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 7.2 tp -55.9 144.26 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.923 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.16 162.33 40.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 74.4 110.829 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.7 17.81 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 75.51 112.308 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -43.93 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 61.31 110.835 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 23.8 m -72.61 -43.37 63.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.01 111.124 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -59.52 4.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.915 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.84 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.854 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.92 -33.86 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.902 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.94 -56.35 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.945 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.96 -31.1 27.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.842 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -34.89 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -79.13 -49.1 13.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.948 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.3 p -53.98 -33.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 72.53 111.121 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 21.4 m -82.15 -33.84 29.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.32 111.127 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.1 110.885 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.83 0.348 . . . . 70.25 111.123 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -87.2 161.77 17.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.929 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -139.75 164.66 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 74.33 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.91 144.53 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 73.43 111.154 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -137.21 99.66 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.924 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 170.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.827 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.55 -169.2 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.8 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -70.73 -29.34 65.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 73.21 110.934 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -47.6 164.9 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.647 0.736 . . . . 74.21 110.865 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 -12.91 34.0 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 73.24 112.425 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.95 59.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.893 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 655' ' ' ASP . 0.9 OUTLIER -108.95 119.48 39.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 73.53 110.851 179.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.44 111.97 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.151 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -86.65 106.2 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.05 110.839 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.925 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 19.7 p -146.5 143.14 28.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.149 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.933 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.1 p . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.814 0.34 . . . . 52.45 110.96 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -98.53 154.34 37.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 75.4 110.876 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 161.04 47.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 75.23 112.332 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.6 mmm -123.81 106.84 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 75.1 110.848 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 148.59 50.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.904 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -44.24 -35.87 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 73.1 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 -48.75 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 70.55 110.924 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.811 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.874 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -68.39 -45.76 71.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.841 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -55.75 -28.94 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.856 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -28.75 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 71.1 110.883 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 30.5 p -65.02 -46.64 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 54.04 110.829 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.2 tp -77.89 -40.87 38.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.16 -58.32 5.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.847 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 33.2 mt -57.9 -38.85 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 72.01 111.144 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -37.71 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.885 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -70.77 -28.64 64.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 626' ' ' PRO . 23.7 mt -68.3 160.48 75.3 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 72.13 110.918 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 54.1 Cg_endo -69.68 164.67 33.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 73.34 112.348 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.56 54.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 60.54 112.471 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.04 -40.19 30.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 64.34 110.873 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.68 -35.76 70.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.86 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . 0.465 HD23 ' HG ' ' B' ' 403' ' ' LEU . 0.1 OUTLIER -63.46 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 70.33 110.908 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.63 -35.62 2.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.23 112.574 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -53.76 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 74.1 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.93 -52.91 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.31 111.151 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 6.7 m -48.38 -32.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.186 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -70.62 -37.21 73.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.507 . . . . 62.03 110.829 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.53 -37.72 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 71.25 111.144 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.72 -65.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.52 111.127 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -53.96 -24.32 16.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.54 110.913 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -71.24 -34.88 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.821 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -115.14 17.4 16.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.899 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 62.41 110.834 -179.852 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.775 0.239 . . . . 73.11 112.395 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' B' ' 405' ' ' ARG . 4.9 t70 -83.13 11.69 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.884 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -150.29 129.69 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.4 110.895 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.38 133.67 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.094 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -117.4 98.73 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 75.43 110.919 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 36.3 mt -91.54 108.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 72.11 111.136 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -106.19 96.04 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -57.65 -28.4 63.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.876 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -54.27 -34.22 60.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 73.45 110.854 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.6 t -112.45 -21.23 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 75.54 111.069 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.34 154.18 6.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 75.5 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -88.19 158.84 49.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 74.44 110.908 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -38.1 8.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 70.55 112.317 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.06 56.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.875 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 25.5 m -63.29 -44.37 95.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.17 -0.468 . . . . 63.13 111.171 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.3 110.899 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -34.66 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.32 110.946 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.44 -34.63 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.962 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.4 -44.84 27.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.885 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -59.59 -27.64 66.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.464 . . . . 73.4 110.892 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.32 -35.67 47.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.832 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -78.88 -36.58 41.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.942 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.91 -31.75 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.167 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -76.43 -31.07 57.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 62.42 111.195 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.825 -179.848 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.741 0.305 . . . . 62.14 111.148 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -89.49 156.29 18.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.928 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -130.01 175.07 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 71.2 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 14.8 p -137.99 131.5 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.32 111.144 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -139.77 112.34 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 168.87 17.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.914 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.48 -173.13 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.812 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -65.27 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 74.53 110.9 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.34 165.29 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 73.33 110.889 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.86 37.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 62.52 112.35 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.85 56.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.9 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -102.08 103.86 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.43 110.858 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -102.05 110.52 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 72.41 111.113 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 95.93 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.4 110.839 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . 0.465 ' HG ' HD23 ' A' ' 630' ' ' LEU . 0.3 OUTLIER -89.82 139.01 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.88 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 27.1 p -149.04 141.24 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 61.13 111.14 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.41 ' HB2' ' CG ' ' A' ' 650' ' ' ASP . 54.5 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.85 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.835 0.35 . . . . 72.45 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -93.37 153.41 41.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 75.43 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 161.1 47.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 74.21 112.351 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 24.0 mmm -125.66 129.76 50.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.83 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.04 154.36 22.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.827 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -50.91 -35.15 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 75.13 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -59.24 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 75.15 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 63.41 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -32.85 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.929 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -45.25 78.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.834 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -67.98 -26.24 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.93 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.72 -48.95 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 71.31 110.985 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -41.56 68.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 73.23 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.83 -61.04 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.841 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.64 -35.73 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.42 111.084 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.76 -41.14 88.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.873 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -69.19 -28.83 66.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.33 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.78 162.15 23.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 65.13 110.906 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 163.83 36.84 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.681 2.254 . . . . 75.24 112.316 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.6 -48.35 55.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 75.33 112.435 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -49.6 -38.01 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 72.11 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -59.13 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.927 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 2.0 tt -51.87 -45.29 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.33 110.938 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -50.5 -40.24 38.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 71.41 112.465 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.44 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 74.31 110.912 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.29 -56.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.081 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 652' ' ' ILE . 3.0 p -50.03 -34.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.212 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -36.34 83.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 74.4 110.821 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.9 mt -65.23 -56.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 72.21 111.139 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 4.1 mp -49.93 -62.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.53 111.133 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -50.45 -28.74 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.9 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -49.91 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.888 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -97.47 17.21 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 73.54 110.97 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.653 0.739 . . . . 73.42 110.848 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.751 0.229 . . . . 72.04 112.342 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.1 OUTLIER -91.4 22.43 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.04 110.854 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -148.41 135.78 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.15 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . 0.504 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.48 144.93 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.132 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -118.43 97.96 6.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 64.52 110.89 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 27.9 mt -89.58 108.64 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 74.1 111.178 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.15 104.37 9.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.861 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 659' ' ' LEU . 16.7 m-85 -63.46 -14.72 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.84 -26.21 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 70.23 110.924 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.2 t -118.34 -24.92 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.166 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 6.3 mt -54.69 160.2 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 73.4 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -89.26 162.56 36.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.531 0.681 . . . . 74.41 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.64 28.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.626 2.218 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -54.77 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.83 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 5.2 m -57.26 -40.44 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 74.41 111.139 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -46.76 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.916 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -70.41 -34.38 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 75.23 110.905 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.66 -45.3 63.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.844 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.14 -49.24 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 64.43 110.934 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -55.77 -27.32 50.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.817 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -34.11 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.845 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -79.09 -47.21 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.91 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 7.3 p -56.78 -33.14 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.1 111.098 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.8 m -76.99 -34.75 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.42 111.157 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 73.12 110.861 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.751 0.31 . . . . 74.12 111.15 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -73.29 155.51 39.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.873 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -136.22 174.5 10.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 73.01 110.83 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 68.1 t -150.39 143.07 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.156 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -136.22 108.97 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.963 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 165.44 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.92 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 8.3 t -134.51 179.84 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 62.53 110.827 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.92 -26.3 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 54.43 110.918 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -46.51 163.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 74.13 110.911 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.72 36.61 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.66 2.24 . . . . 71.44 112.296 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.43 60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.831 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -115.56 119.34 35.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.866 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.61 112.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.52 111.156 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -82.58 103.69 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.87 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 5.1 mp -88.3 135.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 73.23 110.91 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 25.7 p -147.43 141.76 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.185 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.0 mtp85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 64.44 110.884 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.846 0.355 . . . . 73.42 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -97.64 156.41 36.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 72.51 110.899 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 74.35 112.322 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 43.6 mtp -150.35 119.22 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.902 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.4 t -80.82 -179.46 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.852 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -61.63 -25.56 67.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.926 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -60.92 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.906 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.12 -21.83 64.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 74.52 110.836 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . 0.458 ' HB3' ' HG ' ' B' ' 399' ' ' LEU . 0.0 OUTLIER -70.37 -56.82 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.924 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -28.2 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.88 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -78.91 -55.48 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.946 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.57 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 73.3 110.937 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 5.5 p -65.48 -47.41 76.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 63.25 110.856 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.99 -48.45 65.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.4 -55.31 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.823 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 60.5 mt -52.14 -35.95 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.34 111.081 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -72.75 -35.95 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -28.55 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 6.5 mp -57.16 161.37 5.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 75.53 110.871 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 164.55 34.2 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.706 2.27 . . . . 75.11 112.324 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.64 -57.82 10.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 74.03 112.535 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -49.3 -37.79 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 73.11 110.884 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -67.26 -39.62 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 73.13 110.944 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.92 -46.83 83.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.924 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.04 -38.32 38.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 64.11 112.495 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -40.4 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 73.51 110.831 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.25 -63.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 62.4 111.062 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . 0.409 HG21 HD12 ' A' ' 652' ' ' ILE . 1.6 p -49.3 -33.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.143 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -47.56 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.838 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.43 -52.26 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 71.51 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 46.3 mt -60.28 -27.39 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 73.04 111.109 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -63.79 -37.64 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 60.11 110.919 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.23 -24.7 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.906 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.77 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 65.54 110.815 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 73.54 110.898 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.762 0.234 . . . . 75.31 112.326 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.53 16.75 7.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 64.44 110.869 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -148.19 139.68 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.845 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.06 139.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 74.43 111.139 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -115.7 99.81 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.851 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 8.0 mt -86.32 109.76 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.165 -0.47 . . . . 74.21 111.132 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.18 100.91 10.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . 0.455 ' HA ' ' HB2' ' A' ' 659' ' ' LEU . 5.5 t80 -53.7 -34.47 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.64 -27.75 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 75.44 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 p -112.36 11.89 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 64.15 111.134 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 17.2 mt -92.19 144.16 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.86 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.58 164.11 30.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.566 0.698 . . . . 75.21 110.889 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.05 32.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 62.13 112.338 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -52.55 17.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 73.23 110.76 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 25.2 m -59.69 -33.83 72.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.115 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . 0.406 HD23 ' HG2' ' A' ' 615' ' ' LYS . 1.1 tp -62.8 -44.6 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 70.42 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -40.34 46.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.842 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.44 -55.09 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.866 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.51 -37.5 87.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.919 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -63.92 -25.84 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.938 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -75.33 -34.51 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 75.35 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.91 -41.18 37.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.818 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.78 -32.18 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 74.35 111.159 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.1 m -76.34 -28.72 56.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 74.45 111.191 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 63.02 110.953 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.754 0.312 . . . . 74.33 111.136 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -75.45 154.11 37.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.892 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -133.25 176.34 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 63.12 110.89 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 90.0 t -150.58 137.5 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 75.35 111.119 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -138.63 110.24 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 72.54 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 172.56 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 74.23 110.836 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -132.71 178.48 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.913 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -57.95 -28.61 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.898 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.31 165.11 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 70.12 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.03 37.19 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.647 2.231 . . . . 72.44 112.384 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -174.37 56.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 75.14 110.904 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -102.04 98.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.917 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 2.1 mp -93.41 128.57 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 74.42 111.051 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.64 100.15 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.89 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 5.6 mp -91.79 135.95 33.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.987 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.5 p -148.45 142.21 25.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.13 111.168 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.5 mtp85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 75.41 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.901 0.382 . . . . 55.13 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.64 156.01 36.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.539 0.685 . . . . 75.32 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 157.83 59.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.257 . . . . 74.21 112.366 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.4 mmm -128.64 128.13 43.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 9.2 m -95.39 178.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.865 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -68.24 -28.06 66.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 74.1 110.907 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -61.1 2.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 71.53 110.925 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -29.17 69.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 74.12 110.899 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -66.66 -60.54 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 64.02 110.886 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -28.11 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.17 -42.41 46.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 74.12 110.852 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -33.38 75.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 64.4 110.863 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.5 -50.21 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.849 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 14.7 tp -74.99 -44.49 47.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 75.22 110.97 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -50.01 -61.17 2.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 62.12 110.915 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.78 -34.99 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 70.32 111.103 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 60.42 110.889 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.05 110.942 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 626' ' ' PRO . 4.5 mm? -75.68 161.04 77.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 75.11 110.904 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 53.9 Cg_endo -69.76 164.61 33.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 75.13 112.337 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.63 -41.31 42.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 73.22 112.493 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -49.76 -40.06 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 74.3 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -52.29 19.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.952 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.75 -51.94 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 74.02 110.948 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.83 -46.0 9.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.776 -0.726 . . . . 73.33 112.443 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -41.42 99.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 75.34 110.897 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 87.3 t -69.55 -59.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.05 111.085 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 5.9 t -47.78 -33.51 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.12 111.105 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.37 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.823 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.1 mt -50.78 -59.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 75.11 111.14 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.13 -23.7 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 74.35 111.076 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -37.98 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 70.52 110.953 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 -24.19 15.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.902 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -78.49 -32.62 48.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 75.04 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.64 0.733 . . . . 75.03 110.84 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.801 0.25 . . . . 74.44 112.354 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . 0.448 ' HA ' ' CG ' ' B' ' 405' ' ' ARG . 1.5 t70 -78.6 0.44 26.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 124.31 13.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.833 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.56 140.58 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.51 111.162 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -118.14 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 70.12 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 18.1 mt -96.21 108.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.15 111.116 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.58 103.73 9.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.913 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -60.16 -30.54 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 72.45 110.883 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.66 -31.6 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.1 t -114.35 -24.52 8.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.194 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.4 tp -55.56 153.65 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.946 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.11 161.49 43.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 73.34 110.915 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -33.52 16.46 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.714 2.276 . . . . 73.43 112.324 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -57.53 -53.17 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 73.34 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 94.7 m -67.11 -46.34 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 64.42 111.138 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.47 -47.31 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 73.44 110.928 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.6 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.12 110.88 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.26 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.69 -57.76 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.923 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.83 -35.07 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 64.43 110.91 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -33.56 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 71.51 110.863 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -56.44 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.57 -31.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 70.43 111.15 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 58.8 m -75.06 -35.74 61.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 74.03 111.188 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 64.34 110.885 -179.892 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.76 0.314 . . . . 74.35 111.188 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . 0.43 ' CZ2' ' HG3' ' B' ' 405' ' ' ARG . 12.5 m95 -76.77 170.21 16.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 64.23 110.877 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -155.6 172.73 17.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.877 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.94 154.58 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.15 111.123 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -160.88 123.21 3.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 63.05 110.84 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.19 151.78 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.862 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.47 -172.22 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.21 110.878 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -51.66 -31.93 27.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.37 163.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 74.25 110.922 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -18.53 37.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.795 2.33 . . . . 73.45 112.368 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.55 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -106.31 92.09 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.954 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.3 110.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.07 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.14 107.97 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 75.15 110.875 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -93.55 142.14 27.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.913 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 56.1 p -149.18 141.1 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.147 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . 0.448 ' CG ' ' HA ' ' A' ' 650' ' ' ASP . 4.3 mtt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 73.53 110.878 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.915 0.388 . . . . 64.43 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -83.65 153.3 64.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 75.02 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 150.0 67.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.62 2.214 . . . . 74.03 112.353 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 18.0 mmm -116.12 106.84 14.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 72.05 110.922 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.7 155.76 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.13 110.838 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -49.5 -31.78 10.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -62.56 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.846 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -70.71 -30.72 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 63.45 110.816 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -64.14 -50.35 68.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -56.36 -31.5 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 73.42 110.888 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 0.0 OUTLIER -63.17 -39.84 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.936 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.45 110.836 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.33 -54.46 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 54.03 110.83 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.82 -51.1 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 71.23 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.2 -59.51 3.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 70.13 110.902 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.33 -33.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.101 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -41.48 98.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.929 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -77.18 -28.49 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.15 110.838 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 3.9 mp -63.07 160.84 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 73.35 110.946 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.64 33.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 74.2 112.323 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.35 -51.38 37.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 73.34 112.544 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -49.95 -39.34 40.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.379 . . . . 71.3 110.86 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -35.95 77.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.926 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -52.18 19.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.944 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.64 5.07 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.802 -0.713 . . . . 74.55 112.462 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -47.07 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 75.21 110.883 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.23 -58.12 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 70.1 111.12 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 7.9 t -50.01 -34.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.129 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -37.34 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.895 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 636' ' ' ILE . . . . . 0.408 ' HB ' HD12 ' A' ' 667' ' ' LEU . 1.0 OUTLIER -70.55 -58.72 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.144 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 47.3 mt -55.17 -40.37 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 75.34 111.189 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -75.33 -14.19 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.878 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 14.9 t -88.38 -26.03 22.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -103.55 -34.51 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.74 . . . . 74.55 110.856 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.779 0.241 . . . . 74.21 112.317 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -8.3 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.859 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -140.61 132.52 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.864 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.27 143.76 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 72.43 111.139 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 97.75 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 65.54 110.915 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 22.0 mt -89.97 108.89 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.31 111.155 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.93 94.19 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.843 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -51.88 -27.82 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 73.02 110.903 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -54.22 -35.15 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.6 t -112.5 -20.94 11.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 65.13 111.094 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.39 144.79 24.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.982 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.39 161.45 42.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 74.42 110.841 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -38.04 8.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 72.45 112.29 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.9 -48.73 60.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.879 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 84.7 m -70.94 -49.92 40.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.142 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.95 -48.27 43.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.11 110.956 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -63.59 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.14 110.942 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -56.55 19.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.874 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' LEU . . . . . 0.408 HD12 ' HB ' ' A' ' 636' ' ' ILE . 0.4 OUTLIER -51.13 -47.7 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.45 110.892 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -51.97 -35.49 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.884 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.86 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.91 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -83.43 -51.82 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 61.54 110.977 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 5.0 p -56.57 -32.09 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 74.04 111.156 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.7 m -78.76 -34.62 45.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 64.22 111.145 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.15 110.907 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.808 0.337 . . . . 73.22 111.133 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -88.56 173.7 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 74.24 110.936 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -146.13 161.17 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.43 110.845 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 3.9 p -137.81 142.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.178 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -141.64 111.19 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.923 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 158.44 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 75.51 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 7.8 t -124.99 -170.91 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 70.22 110.908 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -63.58 -24.5 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.994 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -45.75 162.37 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 74.14 110.896 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -17.47 37.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 73.32 112.327 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.33 60.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 75.1 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -112.07 121.48 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.902 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.11 113.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.183 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.07 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.881 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.8 138.48 34.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 25.5 p -148.31 143.24 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.163 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.845 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.892 0.377 . . . . 74.25 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 7.8 m -142.56 -77.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.814 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 64.21 27.61 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 73.03 110.825 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -75.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 71.33 110.842 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 71.97 -68.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 71.44 110.909 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -53.74 -35.21 60.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 74.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -65.85 -30.49 71.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.932 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 49.1 t -80.43 106.54 12.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.88 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 157.99 36.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 65.55 110.884 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 157.96 58.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 72.2 112.372 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 15.8 mmm -117.09 120.76 39.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 71.1 110.867 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.35 149.23 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 73.0 110.85 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -51.3 -33.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.935 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -51.04 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 75.11 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -47.66 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 73.13 110.919 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -52.14 -39.61 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.53 110.934 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 64.3 110.865 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -57.0 -23.77 48.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 74.12 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.24 -45.73 25.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -45.9 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 62.33 110.903 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.12 -48.59 56.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -52.65 -56.37 15.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.857 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 94.7 mt -51.86 -35.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -72.61 -33.21 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.1 110.934 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.99 -28.7 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.896 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 626' ' ' PRO . 14.7 mt -57.89 154.62 27.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 72.13 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 53.8 Cg_endo -69.78 165.31 31.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 72.33 112.346 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -49.05 -56.34 10.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 74.51 112.483 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -50.43 -38.31 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 73.43 110.912 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.53 -35.35 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 74.44 110.926 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.46 -47.51 75.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.32 110.959 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.3 -40.28 45.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 62.22 112.509 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -45.27 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 74.12 110.839 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.11 -56.61 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.54 111.13 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 19.4 t -51.04 -33.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 75.01 111.114 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -64.32 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 62.43 110.859 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 3.7 mt -56.28 -51.9 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.144 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 5.9 mt -72.16 -31.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.131 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -65.42 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.88 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -27.55 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 54.42 110.866 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.52 -32.85 48.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.97 123.53 67.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.658 0.742 . . . . 75.15 110.818 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -42.9 2.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 73.33 112.323 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 32.7 t -62.39 -28.92 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 75.32 110.856 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -166.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 71.24 110.867 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt 69.03 35.59 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 74.34 110.895 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -69.03 175.95 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 75.32 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 90.1 p -59.16 -21.92 60.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 55.33 110.826 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -108.86 87.46 4.55 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 74.31 110.926 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.43 21.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 71.2 112.368 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 10.68 17.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.847 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -144.91 145.38 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.877 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . 0.435 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -142.25 141.92 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 74.54 111.124 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -116.06 99.67 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 4.8 mt -95.84 109.13 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.18 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -121.23 99.06 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.893 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -58.13 -20.35 39.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.893 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.32 -31.48 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.34 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.7 t -117.48 -24.92 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 65.13 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.36 156.97 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.931 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -88.72 163.35 35.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.703 . . . . 64.22 110.902 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -30.08 22.85 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.691 2.261 . . . . 73.4 112.324 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -61.63 -52.52 64.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 63.22 110.814 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 51.6 m -64.12 -45.95 86.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 72.1 111.139 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 3.1 mp -50.41 -57.52 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 73.15 110.944 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -64.19 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.871 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.48 -44.58 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 61.32 110.905 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 10.4 mt -70.15 -35.5 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 74.25 110.898 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -64.04 -33.03 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.43 110.866 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -83.93 -36.28 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 74.4 110.924 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 4.4 p -75.07 -31.97 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 73.23 111.153 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -79.54 -33.0 42.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.11 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 23.7 t -69.37 -33.14 72.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 63.33 110.855 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 63.9 m -88.49 -50.67 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 74.13 110.914 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.06 -28.08 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.887 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.47 172.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.877 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -168.6 -70.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 74.24 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.917 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.752 0.311 . . . . 72.34 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -71.12 155.13 41.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.907 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -126.01 167.89 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 75.45 110.901 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 73.2 t -151.7 145.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 74.11 111.134 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.3 117.95 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 71.12 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 172.49 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.0 -172.51 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.818 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -60.73 -27.96 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 71.15 110.888 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.52 164.62 0.24 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.679 0.752 . . . . 71.15 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -18.57 37.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 72.24 112.373 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.68 57.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.45 110.937 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -103.93 101.83 11.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.874 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.5 mp -92.31 114.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 63.02 111.097 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.35 106.32 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.902 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . 0.435 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 1.7 mp -99.94 136.1 40.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 73.41 110.916 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 29.5 p -150.32 146.12 26.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.143 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 74.43 110.906 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 74.23 110.869 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 29.4 m -91.4 -74.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 65.42 110.857 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 51.77 35.49 15.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.33 110.823 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.35 35.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 74.34 110.894 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.22 -55.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.04 110.838 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -74.15 -35.16 64.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -94.04 18.64 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.921 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 44.2 t -94.54 105.53 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 63.51 110.871 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -98.38 153.39 38.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 74.33 110.827 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.71 48.7 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 71.5 112.383 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 7.2 mmm -132.39 132.37 42.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 73.43 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.66 177.07 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.825 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -62.82 -25.99 68.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 74.45 110.935 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -60.72 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 62.43 110.866 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.76 -25.54 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.03 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -70.77 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.41 110.847 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -33.22 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.926 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -71.29 -51.85 22.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 61.34 110.905 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.56 -40.59 92.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 71.25 110.989 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 53.6 p -51.6 -47.11 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.876 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.02 -44.24 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.926 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.65 -60.41 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 71.24 110.903 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 87.4 mt -57.83 -35.79 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 75.44 111.159 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -62.78 -35.71 80.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.87 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -69.04 -28.61 66.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 74.14 110.894 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 6.4 mp -69.17 161.43 73.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 62.21 110.874 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.39 34.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 72.31 112.275 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.11 -39.68 42.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 73.33 112.502 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -49.83 -39.33 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 72.01 110.871 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -70.97 -35.3 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.919 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.924 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.76 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 53.1 112.451 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -72.69 -49.88 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 74.22 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 61.2 t -68.69 -58.55 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 51.44 111.151 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 10.8 m -46.55 -31.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.108 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -67.55 -46.27 73.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 64.12 110.903 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.27 -45.39 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 75.45 111.112 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 2.8 mp -56.2 -60.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.3 111.146 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -62.04 -14.79 39.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.14 110.93 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -42.47 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -105.1 -35.27 7.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 74.42 110.845 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 642' ' ' PRO . 22.6 tt0 -48.84 107.17 0.71 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 72.22 110.906 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 54.0 Cg_endo -69.76 -43.06 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.262 . . . . 75.51 112.353 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -28.18 67.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 74.42 110.897 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.04 97.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 70.43 110.948 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -137.14 33.18 2.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.922 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -56.64 136.26 54.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.25 110.887 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 10.3 p -57.72 -32.45 67.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.884 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -121.07 136.26 25.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 72.44 110.875 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -13.46 34.67 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.756 2.304 . . . . 71.03 112.398 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 650' ' ' ASP . 0.0 OUTLIER -73.98 -3.29 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 74.31 110.876 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 56.0 tt0 -129.34 138.1 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.865 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -141.51 139.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 74.3 111.129 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -116.43 98.37 6.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 75.43 110.893 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.32 109.94 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 73.01 111.17 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.33 104.9 8.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 62.21 110.924 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -57.58 -27.7 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 73.11 110.873 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -49.21 -32.8 11.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 55.31 110.94 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.5 t -118.74 -23.72 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.05 111.153 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.84 151.38 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.919 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.52 160.78 44.11 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 74.0 110.935 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.35 10.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.707 2.271 . . . . 75.51 112.346 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -53.47 -48.27 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 71.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 57.4 m -74.67 -40.77 61.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 75.43 111.083 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.84 -56.64 15.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.934 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -61.55 -35.76 78.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.939 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -50.41 -35.29 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 74.05 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.06 -49.78 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 74.12 110.914 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -55.84 -26.54 47.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.857 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.79 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.04 110.913 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -77.25 -39.62 47.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.954 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.24 -31.47 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 74.4 111.151 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 82.7 m -74.36 -33.32 63.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 75.54 111.099 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.3 t -64.98 -35.91 82.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.01 110.816 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 1.7 t -88.56 -43.97 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 74.22 110.89 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.66 -28.01 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.905 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 69.42 -75.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.823 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.25 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 75.32 110.954 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 11.7 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.862 179.84 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.757 0.313 . . . . 74.44 111.143 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -92.05 155.05 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 74.41 110.905 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -125.51 169.96 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 73.24 110.867 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 7.6 p -135.52 147.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 74.21 111.191 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -168.14 119.46 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 71.45 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.09 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 73.25 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.09 -174.53 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.871 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.11 -31.14 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.34 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -47.43 164.56 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 74.44 110.955 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.724 2.282 . . . . 75.03 112.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.59 59.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 74.13 110.909 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -107.2 104.45 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.937 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.6 mp -89.04 109.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 74.34 111.142 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.03 105.4 17.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.889 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -102.4 142.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 54.31 110.943 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 35.9 p -147.77 144.07 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 71.51 111.16 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 75.21 110.869 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.349 . . . . 74.24 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.16 -67.04 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.45 110.825 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 52.04 44.64 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.13 110.832 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -163.78 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 75.43 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -52.67 -36.24 56.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 75.02 110.865 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -70.13 -35.17 73.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 73.12 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -69.23 -30.42 68.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.969 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 73.0 m -80.61 106.24 12.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 70.03 110.887 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -88.81 153.38 49.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 75.43 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 152.47 69.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 73.31 112.389 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 66.8 mmm -120.57 131.52 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.54 110.803 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.92 170.49 9.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.13 110.852 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -60.55 -29.31 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.909 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -57.35 -63.15 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 75.31 110.935 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -67.13 -31.29 71.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -64.49 -46.76 81.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.89 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -57.06 -30.21 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.804 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 7.4 tm0? -68.43 -36.01 78.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.897 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.79 -43.0 97.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 72.42 110.921 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -45.09 92.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 71.11 110.861 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.73 -55.31 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 73.32 110.902 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -51.87 -60.95 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.851 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.5 -47.78 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.154 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.14 -36.08 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.23 110.893 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -76.05 -28.61 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.32 110.917 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.96 159.79 24.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 74.2 110.917 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 164.43 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.615 2.21 . . . . 74.14 112.271 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.41 -55.51 19.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 71.42 112.5 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -50.08 -37.0 31.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 75.03 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -40.34 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 74.32 110.906 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -43.42 81.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.937 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.57 -43.81 36.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.736 . . . . 33.15 112.464 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.04 -46.9 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 73.54 110.844 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 66.6 t -56.89 -55.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 63.01 111.116 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 21.8 t -52.07 -34.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 75.51 111.139 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -62.35 -33.07 74.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.84 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.3 mt -76.08 -33.23 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 71.45 111.197 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 57.0 mt -77.16 -44.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 74.15 111.161 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -72.26 -14.4 61.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 72.21 110.913 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 3.9 m -87.36 -31.38 20.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.834 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.33 -33.61 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.919 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.21 110.97 2.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.665 0.745 . . . . 71.53 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -42.62 3.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 74.15 112.286 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 70.3 m -55.27 -35.55 65.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 74.41 110.899 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.44 93.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.925 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -129.5 35.54 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.904 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -98.51 153.66 18.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 75.44 110.834 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 4.6 p -87.21 7.37 28.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 54.24 110.819 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . 0.401 ' HA ' ' HD2' ' A' ' 649' ' ' PRO . 4.0 t30 -107.73 93.52 10.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 73.13 110.935 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 648' ' ' ASN . 52.9 Cg_endo -69.71 -6.95 19.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 72.34 112.333 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 7.63 23.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.85 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -145.15 141.14 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.882 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.21 143.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.138 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 99.09 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 16.0 mt -89.9 109.07 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 71.35 111.149 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -116.08 89.26 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 70.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -51.18 -28.07 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.792 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.36 -31.47 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 74.21 110.889 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.2 t -114.67 -20.85 10.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 73.23 111.169 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.2 tp -55.37 145.2 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 75.12 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 162.66 38.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 75.41 110.922 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -34.78 13.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.601 2.2 . . . . 74.22 112.349 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -55.56 -43.81 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.824 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 7.1 m -78.31 -37.87 43.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.43 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 1.1 mp -53.23 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.35 110.871 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -61.71 -34.44 75.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 75.04 110.886 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.57 -38.36 31.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.866 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.3 mt -73.62 -47.6 38.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.31 110.891 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -52.68 -29.63 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 73.1 110.945 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -36.83 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 74.21 110.86 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -44.63 34.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 61.2 110.863 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.15 -32.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.08 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.5 m -75.71 -33.54 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.3 111.182 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -35.69 73.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.41 110.827 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 63.6 m -82.4 -50.37 8.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -28.72 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.905 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.33 176.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 75.22 110.871 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? 69.21 -75.17 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.912 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 72.13 110.958 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.756 0.312 . . . . 70.33 111.11 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -76.18 152.27 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 73.12 110.895 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.23 167.68 13.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.776 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 85.7 t -150.88 146.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 70.5 111.156 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -147.1 110.31 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.949 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 176.94 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 72.53 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -140.21 -168.97 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.44 110.845 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -69.79 -27.67 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.906 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.12 163.87 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.722 . . . . 72.43 110.87 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -18.66 36.95 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 75.04 112.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.43 58.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.94 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -112.16 123.18 49.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.906 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.28 118.29 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 75.21 111.129 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.16 106.37 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.874 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . 0.477 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 3.0 mp -94.24 134.38 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.942 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 20.7 p -146.65 148.09 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 72.55 111.116 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.877 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 75.44 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.76 105.04 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.863 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.37 -36.74 79.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 70.25 110.945 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -92.95 48.29 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 73.14 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -96.66 -36.08 10.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 74.14 110.856 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -57.15 -35.18 69.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.466 . . . . 74.05 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -30.54 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.856 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 33.3 m -77.1 106.23 8.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 70.4 110.838 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -97.57 156.34 36.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 64.03 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.64 68.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 71.42 112.38 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 60.2 mmm -118.44 109.0 15.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 73.51 110.873 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.1 t -72.02 167.5 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.32 110.902 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -53.79 -27.98 32.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.913 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.76 -61.98 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 75.01 110.921 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.58 -32.06 72.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 75.45 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -62.81 -54.82 33.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.849 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.57 -31.24 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.21 110.889 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -65.1 -39.18 92.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.24 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.86 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 64.35 110.952 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -51.45 68.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 61.33 110.839 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.95 -53.17 13.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -50.64 -53.97 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 73.23 110.883 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.81 -27.73 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 64.43 111.14 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -87.87 -0.72 57.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -100.68 -29.61 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 63.54 110.869 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.422 ' HB2' ' HD2' ' A' ' 626' ' ' PRO . 1.5 pp -70.49 157.74 89.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 65.23 110.911 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 625' ' ' LEU . 53.4 Cg_endo -69.82 163.71 37.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 74.24 112.304 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.65 -45.19 47.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 64.31 112.55 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.54 -39.96 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 73.11 110.886 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -67.74 -38.35 83.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.869 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.408 HD22 ' HG ' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -55.17 -60.64 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.887 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.7 -36.3 8.16 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.749 -0.738 . . . . 72.42 112.459 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.93 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 74.41 110.825 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.11 -57.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.176 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 9.0 m -48.6 -33.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 74.33 111.114 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.67 -42.16 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.824 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.6 mt -53.53 -51.53 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 74.51 111.089 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 1.5 mp -51.22 -64.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.144 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -55.43 -22.43 20.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 71.14 110.855 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.64 75.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.32 110.862 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -121.04 17.77 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 74.34 110.813 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.13 92.41 13.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.679 0.752 . . . . 71.14 110.899 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.92 -37.76 8.35 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.649 2.233 . . . . 70.32 112.318 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -32.37 58.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 75.43 110.83 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.43 101.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 65.22 110.932 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -108.33 35.62 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 74.15 110.943 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -71.99 114.17 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.931 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 87.8 p -57.61 -32.03 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 75.3 110.893 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -108.26 136.66 19.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.589 0.709 . . . . 64.04 110.903 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.19 20.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 75.1 112.369 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -93.29 23.72 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.845 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -145.44 136.61 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 62.43 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -141.79 141.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 72.34 111.124 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -124.23 98.43 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 72.14 110.832 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 2.2 mp -92.79 109.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 72.15 111.145 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -124.01 95.62 4.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 72.53 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -53.68 -25.51 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.91 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -34.77 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.908 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -117.27 -22.66 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 75.14 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.2 160.44 2.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.926 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.91 156.8 49.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 75.31 110.912 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -30.81 21.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.617 2.211 . . . . 71.43 112.452 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -42.8 99.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 75.33 110.863 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 7.8 m -73.45 -47.49 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 72.0 111.144 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 3.0 mp -46.2 -54.83 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 73.23 110.958 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.31 -32.83 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.0 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.9 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.43 -47.58 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 71.24 110.908 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -51.68 -38.13 53.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 75.44 110.833 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -62.6 -35.22 78.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 75.32 110.819 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.17 -52.86 6.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.935 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 2.9 p -56.52 -31.21 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 64.44 111.112 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 68.2 m -78.83 -32.32 46.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.1 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.5 t -68.35 -34.05 75.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.913 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 18.2 t -88.84 -50.37 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 74.42 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 12.5 tp -66.49 -28.11 68.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.888 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 72.28 -68.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.819 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.99 84.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 74.54 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.858 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.766 0.317 . . . . 75.21 111.165 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -92.46 160.51 15.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.884 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -120.43 172.04 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 9.1 p -143.83 147.17 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 74.33 111.146 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -165.84 123.86 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.13 172.3 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 74.53 110.825 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -133.02 -171.86 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.895 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.55 -27.32 69.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 71.01 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.31 164.75 0.23 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 74.21 110.867 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -16.76 37.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 54.41 112.348 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.48 58.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 64.43 110.933 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -107.14 112.37 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 75.12 110.877 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.7 mp -101.96 114.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 73.23 111.171 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 105.03 17.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 73.21 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . 0.408 ' HG ' HD22 ' A' ' 630' ' ' LEU . 0.3 OUTLIER -102.96 139.06 39.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 75.13 110.889 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.0 p -151.01 145.65 25.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.162 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.414 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.6 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 75.53 110.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.929 0.395 . . . . 72.23 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 14.4 m -65.54 -72.82 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 55.03 110.785 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 53.77 47.74 22.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 72.43 110.879 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.84 -41.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 75.03 110.906 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.47 -36.48 76.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 73.25 110.832 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -55.48 -35.21 65.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 73.12 110.848 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -80.78 -30.47 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.876 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 99.4 m -77.95 107.63 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.45 110.878 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.09 155.8 40.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 74.43 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.07 47.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 62.44 112.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 52.3 mmm -119.1 107.0 12.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.03 110.88 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 12.5 m -59.36 155.67 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.53 -35.69 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 74.03 110.933 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.34 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.886 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -59.44 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 73.02 110.901 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.37 -33.64 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.867 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.16 -40.55 58.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 75.12 110.838 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -73.31 -31.86 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 73.55 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 4.4 mp -63.92 -46.47 84.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.2 110.953 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -50.45 72.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.844 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -56.05 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.974 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -50.57 -58.04 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 63.52 110.853 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 71.8 mt -57.78 -35.8 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.41 111.088 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -66.35 -41.45 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.23 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -28.61 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.02 110.939 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.49 159.74 8.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.12 110.928 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 164.26 35.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.763 2.309 . . . . 74.12 112.356 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.21 -55.79 17.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 65.24 112.511 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.57 -38.49 31.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 75.14 110.89 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.1 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.52 -47.87 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 73.3 110.94 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.22 -43.66 9.6 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.76 -0.733 . . . . 65.45 112.524 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -67.06 -47.15 72.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 72.41 110.818 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 38.1 t -59.87 -59.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 74.54 111.123 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 11.0 t -51.9 -33.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 74.42 111.143 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . 0.452 ' HA ' ' HG2' ' A' ' 638' ' ' GLN . 33.4 t60 -63.87 -29.16 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 71.02 110.9 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -75.78 -38.48 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 75.42 111.118 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 4.2 mp -73.36 -46.35 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.14 111.158 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 635' ' ' HIS . 4.7 pt20 -67.71 -19.55 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.917 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 52.2 m -95.56 -35.76 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.851 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -80.63 -32.8 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 75.0 110.872 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -78.85 113.69 37.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.689 0.756 . . . . 64.31 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.76 10.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.278 . . . . 74.35 112.337 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 3.1 t -67.02 -35.48 79.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 64.42 110.825 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.92 102.69 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.942 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -147.66 41.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 74.13 110.867 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.35 149.95 3.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 61.34 110.853 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 67.0 p -57.99 -34.79 70.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.832 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -118.24 136.4 23.92 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 74.42 110.901 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -7.18 20.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 64.2 112.356 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . 0.423 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.94 20.58 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 73.31 110.854 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -147.83 136.52 21.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.882 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.1 142.38 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 73.35 111.133 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -117.0 98.17 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 74.23 110.897 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 14.4 mt -91.48 109.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 71.12 111.1 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -122.83 94.67 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 72.31 110.914 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -57.39 -28.34 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 72.43 110.913 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -51.2 -31.79 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 71.04 110.872 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.4 t -118.29 -23.52 7.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.15 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.3 160.28 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 71.41 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -88.34 158.24 49.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.525 0.679 . . . . 64.32 110.862 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.88 7.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.604 2.203 . . . . 70.35 112.335 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -51.56 -45.66 63.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 73.34 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 25.0 m -73.88 -51.1 17.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 75.42 111.094 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.06 -47.97 22.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.89 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 71.02 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -51.96 -50.03 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -66.58 -35.09 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.814 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -60.21 -29.9 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 74.12 110.873 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -35.65 58.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.44 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.27 -40.6 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.34 110.938 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.17 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 72.24 111.14 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.2 m -78.39 -28.19 46.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 43.21 111.115 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 43.9 t -71.76 -34.26 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 72.22 110.835 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 34.8 t -88.49 -51.0 5.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 72.44 110.946 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.17 -28.15 65.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 75.43 110.839 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.65 -75.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 74.51 110.82 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.13 137.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.91 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 9.3 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 74.3 110.926 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.876 0.369 . . . . 74.44 111.124 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 6.5 m95 -85.7 172.34 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.887 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.34 165.1 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.834 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 3.0 p -135.01 148.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 55.3 111.137 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -136.39 96.27 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.922 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 157.39 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 72.54 110.849 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.1 t -129.69 -178.29 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.41 110.887 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -57.39 -25.09 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -45.99 162.33 0.24 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.72 . . . . 74.34 110.92 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -20.79 34.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.744 2.296 . . . . 74.11 112.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.49 60.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.955 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -112.56 117.7 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.815 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.77 109.86 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 73.14 111.188 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -84.29 101.21 11.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 74.24 110.835 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -84.85 137.38 33.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 73.42 110.928 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 19.0 p -147.92 143.9 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.43 111.173 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.423 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.891 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.86 0.362 . . . . 75.15 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.36 122.59 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 65.13 110.869 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -35.71 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 72.23 110.882 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -94.48 50.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -113.38 -34.36 5.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 71.11 110.827 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.37 -35.13 18.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.816 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.46 18.63 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 63.44 110.929 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.8 p -51.98 108.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -90.65 154.67 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 74.31 110.813 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 159.95 51.46 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.663 2.242 . . . . 71.41 112.294 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' MET . . . . . 0.419 ' HG3' ' HB3' ' A' ' 664' ' ' LEU . 23.7 mmm -141.98 128.65 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.906 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.77 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 61.25 110.866 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -50.93 -35.35 32.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.911 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.28 -33.31 58.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.32 110.903 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -62.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 75.43 110.878 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' ' 656' ' ' PHE . 25.6 mmmt -61.92 -28.89 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.21 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 74.32 110.927 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -73.04 -33.9 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.926 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.34 -38.13 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.915 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -45.61 80.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 73.13 110.872 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -54.93 40.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 75.15 110.893 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -51.89 -53.79 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.875 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 59.8 mt -62.03 -37.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 71.03 111.129 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -64.69 -41.28 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 74.12 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -28.39 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.907 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.407 ' HB3' ' HD2' ' A' ' 626' ' ' PRO . 24.3 mt -66.84 160.09 71.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.696 0.76 . . . . 73.23 110.851 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 54.0 Cg_endo -69.79 164.42 34.63 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.665 2.244 . . . . 71.35 112.358 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.67 -39.54 38.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 62.01 112.482 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -49.73 -38.79 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 74.13 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.48 -45.67 58.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 74.2 110.866 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -55.57 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 72.42 110.89 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.37 -40.65 11.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 71.53 112.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -76.62 -45.88 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 73.12 110.837 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 90.4 t -64.42 -63.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 74.11 111.111 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 10.9 m -50.31 -29.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.43 111.13 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -64.99 -35.11 80.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.71 -46.26 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 2.4 mp -50.81 -61.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.167 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -51.48 -29.45 16.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 64.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 t -64.52 -33.04 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.24 110.84 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -120.25 19.23 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -106.87 92.45 7.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 75.01 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.8 -37.49 9.0 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 71.14 112.255 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 8.1 t -55.3 -34.85 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.857 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 2.5 mt -50.04 -76.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 73.45 110.923 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt 48.69 85.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 72.44 110.868 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -163.51 147.27 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 71.1 110.877 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.58 8.36 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 65.51 110.776 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -107.56 91.89 7.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 72.4 110.854 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -7.92 22.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 73.33 112.378 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.6 1.71 32.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 61.25 110.909 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.83 139.91 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.91 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 1.1 tt -142.05 144.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 74.01 111.129 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -119.94 96.7 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 70.53 110.933 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 8.5 mt -85.97 112.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 74.1 111.084 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.53 114.93 17.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.41 110.839 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . 0.464 ' HA ' ' HB2' ' A' ' 659' ' ' LEU . 0.1 OUTLIER -55.03 -31.34 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.941 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.16 -17.82 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 72.51 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.0 p -118.68 -26.85 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.125 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 13.6 mt -58.99 135.67 57.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.02 110.936 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 165.24 25.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.536 0.684 . . . . 74.44 110.91 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.28 33.84 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.677 2.251 . . . . 73.31 112.331 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.67 -44.62 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 74.4 110.849 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.6 m -58.48 -55.41 35.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.193 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.419 ' HB3' ' HG3' ' A' ' 610' ' ' MET . 0.0 OUTLIER -50.73 -49.53 57.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 72.23 110.898 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -31.71 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.863 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -76.0 -38.86 56.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.891 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.12 -59.95 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 75.53 110.941 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.64 -34.32 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.896 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -62.77 -33.82 75.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 73.21 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.73 -52.93 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.899 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 4.1 p -58.06 -31.22 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 74.32 111.173 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 89.5 m -79.81 -29.72 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.129 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 52.9 p -71.52 -33.5 69.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 64.1 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -51.1 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.915 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.63 -28.31 65.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.926 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.6 46.18 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 71.4 110.854 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -158.78 155.02 27.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.44 110.932 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 73.32 110.889 179.86 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.727 0.299 . . . . 65.23 111.114 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 10.9 m95 -93.13 155.61 17.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 70.3 110.927 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -125.75 160.47 29.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 7.2 p -129.3 126.55 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.177 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -138.72 97.11 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 175.77 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.928 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.9 t -136.07 -177.54 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.853 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -22.79 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.927 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.04 164.02 0.21 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 72.02 110.934 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.48 37.53 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 74.04 112.324 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -177.33 58.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 75.1 110.889 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -108.04 129.25 55.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.901 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.6 116.4 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.53 111.171 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.84 98.34 11.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.895 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -97.95 135.12 40.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.959 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 12.1 p -142.49 145.56 33.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.43 111.108 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.934 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.857 0.361 . . . . 73.14 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.38 -74.6 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 65.13 110.82 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 51.74 35.47 15.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 72.04 110.895 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.45 35.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 75.5 110.953 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.35 -40.48 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 70.02 110.886 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -89.41 -35.25 16.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 73.23 110.834 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -99.46 18.58 17.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.268 -0.423 . . . . 64.24 110.909 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 7.9 p -51.74 116.76 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.875 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -97.59 153.48 38.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 75.11 110.93 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.09 47.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.26 . . . . 64.14 112.391 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 41.5 mmm -127.83 107.27 9.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 71.2 110.896 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.6 169.85 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 71.43 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.47 -26.74 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.88 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.9 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 63.41 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.45 -23.92 67.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 73.34 110.895 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -74.36 -49.22 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 71.24 110.867 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -50.76 -32.05 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.858 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 25.5 tp60 -74.93 -48.03 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.955 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -39.76 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 74.15 110.98 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 71.14 110.882 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.55 -50.77 23.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 72.31 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.62 -52.11 50.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.878 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 63.2 mt -67.41 -33.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 75.41 111.156 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.931 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -73.14 -28.64 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 73.21 110.895 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.403 ' HB3' ' HD2' ' A' ' 626' ' ' PRO . 24.4 mt -61.97 159.96 32.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 74.22 110.947 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 54.6 Cg_endo -69.65 164.61 33.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 74.11 112.414 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.97 -40.56 43.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 62.52 112.488 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.5 -39.02 32.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 73.51 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -71.36 -38.08 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.968 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -65.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.878 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.86 -35.42 3.27 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.76 -0.733 . . . . 75.55 112.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -73.75 -50.78 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 74.44 110.914 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 40.1 t -68.49 -58.76 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.53 111.133 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 15.9 m -46.97 -32.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 72.22 111.079 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -67.46 -43.05 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.34 110.829 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.84 -50.71 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 75.12 111.116 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 4.0 mp -50.95 -66.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 72.14 111.135 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -52.33 -26.44 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 62.42 110.837 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -32.4 74.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 63.24 110.884 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.28 17.12 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.852 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -98.27 115.21 65.81 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 75.11 110.878 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -34.85 13.71 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 72.11 112.319 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 33.1 t -70.93 -30.11 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 65.32 110.866 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 61.43 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 63.5 110.902 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -94.51 36.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.93 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -106.53 143.17 35.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.844 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 3.5 p -88.27 8.03 29.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 71.05 110.866 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -105.02 97.79 14.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 61.33 110.855 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -10.19 27.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 73.42 112.335 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.48 -0.96 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.825 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -145.03 115.84 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 70.52 110.895 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.93 141.63 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 73.23 111.118 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -121.81 97.65 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 63.43 110.923 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 11.0 mm -85.57 110.21 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 73.43 111.184 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -128.06 103.29 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 75.5 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -61.58 -27.42 68.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 75.44 110.83 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.38 -29.98 17.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 74.15 110.882 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -117.35 -26.58 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 75.11 111.095 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.25 154.06 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.23 110.921 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -88.41 161.02 43.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.609 0.719 . . . . 75.12 110.89 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -35.22 13.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 75.33 112.304 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.19 -49.14 72.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.34 110.804 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 25.6 m -68.92 -47.95 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 75.2 111.139 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 3.5 mp -50.76 -51.05 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.89 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -34.94 79.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 75.31 110.837 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -41.94 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.891 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.07 -49.68 71.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 72.21 110.907 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -53.73 -30.94 46.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.809 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.83 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 75.33 110.878 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -80.03 -36.15 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.905 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 5.0 p -78.18 -36.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.13 111.113 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 10.0 t -66.2 -32.62 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.44 111.103 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.7 t -73.6 -35.61 65.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.86 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 4.9 t -79.24 -50.32 11.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -27.94 63.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 73.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 56.36 76.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 71.45 110.885 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.68 -72.9 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 73.04 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 74.2 110.958 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.823 0.344 . . . . 75.33 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . 0.412 ' CZ2' ' HG3' ' B' ' 405' ' ' ARG . 13.4 m95 -84.32 165.6 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -143.68 171.16 14.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 73.31 110.867 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.22 148.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 73.3 111.15 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -164.23 94.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 74.25 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.864 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 t -135.16 -169.53 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.83 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -66.83 -27.65 67.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 74.43 110.966 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.94 163.63 0.24 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 72.44 110.883 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -20.55 34.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 73.04 112.396 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.57 58.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.14 110.912 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -110.48 120.68 43.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.928 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -108.11 116.12 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 75.54 111.102 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.21 99.45 11.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.855 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -99.17 143.24 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.43 110.908 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 81.8 p -145.94 142.16 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.41 111.145 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.412 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 3.7 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.853 0.358 . . . . 74.1 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.93 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.856 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 58.06 52.03 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 74.15 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -174.18 -41.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 71.02 110.948 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 26.9 pt-20 -62.0 -36.33 81.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.42 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -81.91 -35.06 29.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -93.87 18.68 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 10.7 p -51.75 121.41 6.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.91 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -92.07 153.54 43.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 71.35 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 75.33 112.33 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 4.8 mmm -125.9 130.88 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.871 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.67 162.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 60.52 110.933 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -57.94 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.998 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.94 -62.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 75.33 110.929 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.28 -33.65 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 75.24 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -63.76 -50.25 69.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.858 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -53.15 -29.19 29.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 75.03 110.899 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 58.1 tp60 -71.96 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.935 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 3.4 mp -68.32 -46.56 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 70.1 110.947 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.8 t -55.61 -44.1 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.84 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.15 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.958 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -50.13 -61.79 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.863 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 67.2 mt -50.66 -38.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.131 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -65.98 -34.24 77.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 64.15 110.881 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -70.3 -29.23 65.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 71.03 110.911 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.21 160.62 74.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.618 0.723 . . . . 74.31 110.949 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 164.48 34.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 71.05 112.326 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.06 48.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.712 . . . . 41.51 112.479 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -49.59 -39.7 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 63.13 110.88 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -42.05 78.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 74.31 110.915 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 2.4 tt -66.86 -39.87 87.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 75.51 110.926 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -52.59 -40.18 54.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 71.12 112.504 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -71.27 -36.66 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 73.53 110.929 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.83 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.147 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.41 HG22 HD11 ' A' ' 652' ' ' ILE . 3.2 p -50.97 -34.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.147 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -62.8 -33.7 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.91 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.87 -53.84 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 52.33 111.162 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 4.4 mp -55.18 -51.55 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 74.51 111.151 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -66.99 -13.94 62.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 71.14 110.947 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -88.92 -48.46 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.84 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.45 -30.05 42.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.823 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -95.47 106.23 25.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 63.02 110.928 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -42.84 2.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 61.44 112.373 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 29.0 t -54.71 -33.98 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 65.11 110.913 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.8 45.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.953 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -86.03 -77.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.899 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.89 170.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.901 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.78 7.47 46.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.831 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -121.86 90.76 48.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.629 0.728 . . . . 74.24 110.926 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.45 23.62 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.707 2.271 . . . . 62.43 112.324 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -3.23 39.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 74.13 110.911 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -138.66 134.44 33.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.891 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . 0.479 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -142.77 144.13 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 43.24 111.091 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.0 99.04 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 9.0 mt -95.34 108.49 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 71.54 111.146 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -125.94 96.99 4.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 64.41 110.888 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -56.16 -22.98 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.13 110.839 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -56.53 -32.54 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -119.05 -24.7 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 65.23 111.191 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 158.84 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.958 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -88.94 162.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.522 0.677 . . . . 75.44 110.963 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -31.31 20.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.242 . . . . 64.34 112.332 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -60.04 -49.2 78.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 75.34 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 14.2 m -71.19 -35.7 71.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.35 111.09 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 2.0 mp -56.84 -60.66 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.55 110.895 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -58.47 -34.21 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 73.35 110.911 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.61 -44.94 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.879 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.63 -41.78 87.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.968 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -64.96 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.912 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.38 -28.77 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 73.05 110.84 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.75 -41.5 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.89 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 4.7 p -74.41 -35.25 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.34 111.102 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 5.5 t -68.69 -31.75 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.145 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.2 t -70.51 -36.11 73.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.889 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -39.03 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.89 14.57 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 71.22 110.94 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 103.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.906 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -157.56 -64.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.412 . . . . 74.52 110.962 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 4.4 mttp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 62.44 110.956 179.794 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.655 0.264 . . . . 75.22 111.17 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . 0.403 ' CZ2' ' HG3' ' B' ' 405' ' ' ARG . 6.1 m95 -70.18 156.45 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 72.41 110.909 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -135.05 173.0 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.86 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 97.3 t -150.71 141.33 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 65.33 111.059 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -135.89 110.67 8.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 73.13 110.896 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.6 167.29 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 74.14 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.7 t -133.79 -174.72 3.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 61.13 110.873 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.9 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.12 110.912 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.3 m120 -46.0 163.21 0.23 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.674 0.75 . . . . 72.34 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.724 2.283 . . . . 73.21 112.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.43 59.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . 0.408 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 23.0 ttmt -112.17 113.15 25.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.818 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -112.5 115.19 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.148 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 102.63 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . 0.479 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 4.4 mp -85.65 136.77 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.932 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.8 p -147.17 144.8 29.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.124 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.403 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 27.5 mtp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 75.13 110.838 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.893 0.378 . . . . 71.22 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.83 -70.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 74.21 110.836 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 62.24 40.73 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.864 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.73 -55.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 75.51 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -89.32 -35.73 15.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.867 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -33.0 71.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.897 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 19.08 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 72.22 110.895 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.61 106.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 70.14 110.908 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 152.65 38.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 75.33 110.842 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.67 147.94 64.56 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.735 2.29 . . . . 75.2 112.415 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 22.9 mmm -112.32 128.98 56.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.2 m -97.41 178.89 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 73.35 110.833 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -70.46 -26.07 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 72.11 110.909 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -55.97 28.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 75.32 110.867 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -26.82 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -70.83 -59.63 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 71.4 110.897 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.56 -33.74 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.945 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -71.93 -44.11 64.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 75.14 110.909 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -45.81 74.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.963 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.5 p -50.68 -41.72 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.5 110.854 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.29 -47.65 15.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.45 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -51.4 -53.51 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.93 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 83.5 mt -64.42 -35.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.03 111.122 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -63.58 -41.68 98.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.55 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -71.83 -28.49 63.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.87 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 3.2 mp -67.49 162.34 57.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.612 0.72 . . . . 64.41 110.891 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 163.08 39.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.782 2.321 . . . . 75.41 112.371 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.39 -43.24 51.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 65.33 112.547 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.31 -37.92 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 75.51 110.844 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -44.24 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.23 110.895 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.49 -61.08 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.965 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -40.55 -38.09 1.4 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.773 -0.727 . . . . 74.44 112.512 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -50.11 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 72.32 110.91 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.85 -55.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 72.25 111.15 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 9.3 m -48.51 -30.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 72.53 111.037 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -70.99 -39.3 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.778 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.2 mt -56.08 -36.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.04 111.134 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 3.9 mp -66.54 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.127 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -51.41 -24.48 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.05 110.873 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 p -69.9 -39.08 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 65.25 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.78 17.67 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.23 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -110.43 99.13 39.45 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 121.687 0.756 . . . . 73.31 110.888 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -31.94 19.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.274 . . . . 64.41 112.261 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -30.08 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 64.3 110.887 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.74 103.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 72.23 110.878 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -117.23 34.94 4.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.902 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.65 118.81 24.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.927 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 29.3 t -57.85 -32.68 67.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 70.42 110.834 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -113.73 136.57 22.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 60.03 110.857 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.99 37.88 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.652 2.235 . . . . 63.13 112.337 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -5.5 30.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 72.34 110.825 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -128.33 129.77 46.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 63.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -142.11 144.46 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 72.51 111.11 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.15 99.72 6.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 72.5 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -90.86 118.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 73.11 111.116 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.03 98.37 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 63.25 110.915 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.19 -27.77 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.902 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.29 -30.75 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -118.93 -25.26 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 72.43 111.199 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.95 154.14 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 63.53 110.894 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -88.64 160.15 45.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 74.34 110.84 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -36.9 10.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 73.34 112.311 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 30.3 t -51.95 -49.65 62.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 72.42 110.852 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 97.4 m -74.92 -47.53 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 71.22 111.165 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.64 -57.25 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.901 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -58.04 -35.93 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 73.05 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.44 66.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.931 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 4.8 mt -69.28 -53.75 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 53.02 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.94 -30.37 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 73.24 110.903 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -35.7 66.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 73.52 110.835 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -79.26 -50.03 11.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.887 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 9.9 p -52.62 -32.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 72.33 111.12 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.9 m -72.47 -44.83 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.167 -0.47 . . . . 73.01 111.203 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -33.17 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 73.44 110.857 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 7.8 m -82.94 -43.59 16.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 74.22 110.828 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.86 -28.82 67.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.908 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -124.26 -75.67 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 75.24 110.923 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 -49.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.52 110.889 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.867 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.765 0.317 . . . . 75.3 111.093 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -92.3 155.37 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 75.42 110.9 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -127.41 -179.96 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 75.1 110.849 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 7.1 p -146.96 130.82 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 65.54 111.055 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -137.4 110.94 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 71.24 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.6 167.71 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 74.51 110.804 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.6 t -135.6 -171.72 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 61.31 110.851 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -30.33 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 74.33 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.49 164.27 0.25 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 73.42 110.881 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -15.8 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.267 . . . . 73.23 112.327 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.34 58.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 75.2 110.831 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -110.64 102.12 10.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 73.41 110.889 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.1 pt -97.08 114.4 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.52 111.079 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 107.24 15.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.866 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.25 138.71 34.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.932 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 29.0 p -146.97 143.13 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.143 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 31.6 mtp85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.843 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.778 0.323 . . . . 73.41 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.04 -73.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.847 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 53.85 44.77 29.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.44 110.881 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.98 -71.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 72.24 110.876 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -35.61 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 75.21 110.882 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.54 -25.54 17.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 64.31 110.906 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -29.76 70.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.845 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.8 p -49.23 137.59 13.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.903 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -98.94 153.15 37.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 73.54 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 161.29 46.51 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.624 2.216 . . . . 73.24 112.352 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 7.2 mmm -126.7 107.13 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.896 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 164.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 71.04 110.818 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.36 -35.02 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 72.42 110.994 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.81 -52.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.917 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -62.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 75.14 110.887 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.435 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 0.4 OUTLIER -56.73 -39.41 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 72.31 110.928 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -39.2 58.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 75.3 110.856 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -67.66 -30.14 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.74 -50.23 69.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 75.41 110.914 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 62.8 p -53.16 -44.96 68.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.35 110.817 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.64 -60.68 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.879 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -48.67 -61.35 2.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.832 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 99.0 mt -49.76 -37.2 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.088 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.18 -35.16 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.862 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -69.3 -29.28 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 74.23 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -75.04 160.64 80.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.625 0.726 . . . . 75.23 110.87 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 164.21 35.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 73.13 112.326 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.37 -41.88 48.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 73.11 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.03 -38.48 37.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 74.35 110.818 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -50.0 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.1 110.863 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -46.47 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 74.3 110.849 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.84 -42.26 37.46 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 74.3 112.425 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -69.12 -35.11 76.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 64.33 110.925 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.17 -58.26 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 74.03 111.107 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 2.9 p -50.17 -29.94 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 74.31 111.142 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.73 -38.66 87.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.835 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.84 -56.73 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.35 111.138 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 4.3 mp -50.4 -57.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 74.21 111.127 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -57.81 -20.37 35.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 74.03 110.8 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.97 -31.51 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.88 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.26 16.45 22.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -111.47 103.31 54.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.706 0.765 . . . . 74.22 110.896 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -27.69 26.54 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.676 2.251 . . . . 72.12 112.343 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -27.05 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 72.52 110.865 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.33 104.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.901 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.0 34.69 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 71.43 110.885 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.4 165.54 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 71.52 110.804 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 6.8 m -91.85 -33.53 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 71.24 110.845 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -114.36 136.64 22.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.71 . . . . 63.43 110.865 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.04 20.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 74.51 112.355 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.83 21.3 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.896 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -148.57 136.73 21.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . 0.497 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.26 143.92 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.53 111.177 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -116.98 97.34 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 75.15 110.915 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 24.5 mt -89.17 108.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.122 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.72 94.13 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 64.15 110.85 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' A' ' 615' ' ' LYS . 22.4 m-85 -57.98 -26.36 62.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 75.05 110.853 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.6 -31.44 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.803 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.9 t -117.96 -25.35 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 70.42 111.113 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -55.76 160.38 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 75.02 110.916 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.01 160.75 45.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 73.0 110.906 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.68 -37.1 9.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 73.03 112.447 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -47.56 73.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 63.23 110.829 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 5.0 m -70.8 -39.04 73.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 61.11 111.133 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -60.66 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 75.32 110.911 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -32.97 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 75.22 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -36.37 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 75.05 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.73 -45.36 44.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 74.2 110.903 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.35 -29.65 66.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -34.9 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -77.92 -44.92 25.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.11 -33.27 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 70.24 111.16 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.2 m -74.83 -34.57 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 71.44 111.189 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 48.4 t -64.42 -35.69 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 73.43 110.854 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -42.48 11.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.891 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -66.81 -28.31 68.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.932 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 7.8 mtm-85 55.13 64.41 1.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 75.1 110.844 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.54 -67.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 75.33 110.867 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.45 110.869 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.8 0.333 . . . . 73.43 111.108 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -72.67 154.63 40.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 75.51 110.944 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -131.41 173.6 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 61.32 110.866 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 91.4 t -150.64 144.36 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 74.05 111.144 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.66 108.9 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.862 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.4 168.71 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 75.51 110.829 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 2.6 t -135.1 -167.67 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 62.33 110.854 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -70.31 -28.21 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 75.2 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -47.09 164.2 0.23 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 60.41 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.648 2.232 . . . . 70.31 112.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -175.17 59.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 74.43 110.91 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.01 113.68 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.9 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.4 114.04 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 73.11 111.194 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 103.92 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 75.01 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . 0.497 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 4.7 mp -87.11 136.77 32.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 72.52 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 17.1 p -146.63 145.65 30.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.41 111.174 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 75.21 110.928 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.938 0.399 . . . . 72.51 110.819 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.5 m 72.08 -69.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.863 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 51.98 43.07 30.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.15 110.885 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -160.31 -56.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.844 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -51.9 -36.28 48.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.04 110.872 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -35.04 76.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 73.53 110.868 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -65.64 -30.55 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.41 110.923 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 21.6 m -68.63 109.16 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 73.05 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 155.19 37.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 74.14 110.884 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 161.22 46.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.22 112.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 72.7 mmm -133.22 117.3 17.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 71.05 110.906 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.87 175.12 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 64.42 110.874 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -52.76 -28.81 23.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 74.12 110.938 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -60.72 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 65.41 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 65.03 110.987 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -73.69 -57.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 75.41 110.887 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -28.8 9.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.869 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -72.75 -40.91 65.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.03 110.874 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.08 -31.7 71.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 50.5 p -72.05 -37.39 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 62.53 110.832 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.42 -50.34 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 72.43 110.954 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -60.57 2.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.839 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 42.3 mt -54.33 -36.96 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.43 111.08 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.08 -41.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 71.32 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -72.1 -28.81 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 75.52 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 3.2 mp -60.93 161.53 15.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 72.52 110.912 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.1 35.81 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.744 2.296 . . . . 73.21 112.375 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.21 -54.05 25.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 63.24 112.534 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.69 -38.44 32.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.4 . . . . 71.54 110.893 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -57.76 6.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.857 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.48 -40.43 71.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 72.53 110.849 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.98 -38.96 47.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 61.32 112.417 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -39.53 78.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 74.43 110.803 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.28 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.31 111.153 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 3.4 p -51.35 -31.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 72.42 111.138 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.98 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.791 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.47 -58.97 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 70.35 111.089 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.2 -26.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.44 111.157 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -63.45 -39.32 94.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.934 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -24.87 16.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.864 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -78.53 -30.85 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.23 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 642' ' ' PRO . 25.2 tt0 -97.64 105.5 26.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 73.24 110.927 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 54.5 Cg_endo -69.69 -39.03 7.13 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.688 2.259 . . . . 74.33 112.389 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -26.75 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 54.3 110.896 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 6.8 tt -47.42 106.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 72.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -128.73 34.62 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.902 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -63.0 131.76 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 63.42 110.972 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 42.5 p -57.81 -33.81 68.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.53 110.852 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -117.93 137.55 24.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 52.32 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -6.02 17.65 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.669 2.246 . . . . 75.54 112.359 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.48 21.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.806 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -148.05 140.31 24.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 72.42 110.863 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.51 144.28 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 75.24 111.142 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -114.97 99.04 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.907 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 17.5 mt -97.45 108.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 74.15 111.125 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.2 101.15 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 73.22 110.899 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -61.32 -17.65 54.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 72.31 110.827 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.51 -30.83 71.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.878 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.3 t -116.97 -25.12 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.088 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.56 160.17 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.904 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 162.3 40.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 73.41 110.856 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -28.32 25.04 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.641 2.227 . . . . 62.12 112.33 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -55.08 20.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.871 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 28.2 m -61.5 -44.17 97.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.51 111.145 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 1.4 mp -51.29 -60.55 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 74.51 110.896 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.48 -34.06 73.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 73.54 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -38.77 48.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.848 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.97 -39.37 61.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.912 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -68.76 -22.74 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.907 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.39 -34.91 47.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.817 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.92 -36.55 56.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.896 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 9.1 p -71.12 -32.77 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.135 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.6 m -73.04 -32.09 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 71.43 111.125 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.5 t -75.98 -34.8 59.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.875 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 33.8 t -78.81 -50.94 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 63.52 110.927 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -27.9 60.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 73.24 110.879 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 63.57 53.55 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.855 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.45 133.38 12.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.933 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.867 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 72.42 111.118 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -73.34 156.01 38.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.873 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -134.47 168.21 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.844 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 84.6 t -150.86 146.57 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 75.24 111.083 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.43 118.81 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 75.14 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.93 150.1 24.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 71.41 110.871 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.4 m -172.12 165.48 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 71.14 110.847 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -77.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 65.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.64 163.65 3.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.671 0.748 . . . . 75.52 110.822 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -20.08 34.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.633 2.222 . . . . 70.42 112.321 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.82 57.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.868 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -109.87 103.95 12.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.908 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.2 pt -94.1 121.32 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 75.14 111.177 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -92.02 104.82 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 75.05 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . 0.459 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 4.8 mp -87.61 134.8 33.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 72.32 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.3 p -149.43 143.01 25.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 71.3 111.13 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.432 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 24.4 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.823 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.854 0.359 . . . . 72.44 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -73.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 74.31 110.881 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 52.05 36.12 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.8 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.33 -74.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 74.41 110.844 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 39.61 40.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.876 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.56 -35.12 13.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 72.34 110.869 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -65.74 -30.53 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 64.4 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 66.3 m -65.14 122.03 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.882 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -96.58 153.42 38.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 75.45 110.837 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.74 2.293 . . . . 53.2 112.316 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 41.5 mmm -118.24 131.49 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 72.43 110.868 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.19 145.98 35.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.3 110.84 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -58.54 -30.53 67.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 64.23 110.871 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.69 -62.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 65.13 110.848 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -43.86 92.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 74.54 110.856 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -55.2 -46.66 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.86 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -52.14 -30.92 28.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.897 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 40.5 tp60 -68.47 -35.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.84 -44.84 84.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.902 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 4.5 m -51.88 -45.64 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 74.4 110.846 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.45 -52.35 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 75.22 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -50.47 -61.13 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 53.14 110.926 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 49.7 mt -55.79 -35.6 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.114 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.9 -41.3 91.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -28.57 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.833 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 6.3 mp -71.18 162.02 74.96 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 70.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 163.67 37.31 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.742 2.295 . . . . 73.41 112.388 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.97 -38.97 47.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 72.04 112.517 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.79 -39.08 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 75.23 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 2.4 mmpm? -71.28 -44.87 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.914 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -56.88 13.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.95 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.09 -34.83 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 63.55 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -74.74 -49.97 19.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 73.12 110.864 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.02 -58.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 72.14 111.136 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 14.9 m -49.72 -31.41 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 74.45 111.116 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -67.72 -36.76 81.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.82 -32.16 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 3.3 mp -69.25 -47.03 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 75.53 111.095 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.21 -14.79 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.23 110.973 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.1 t -96.09 -35.1 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 62.32 110.878 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -88.21 -33.35 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 65.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.32 120.03 66.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 61.43 110.876 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.726 2.284 . . . . 72.4 112.294 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -34.83 71.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.847 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.19 48.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.902 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -114.94 36.69 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 73.23 110.925 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.21 161.64 13.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 55.02 110.855 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -7.56 54.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 75.05 110.801 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -108.13 90.05 6.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 75.22 110.92 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -10.48 28.67 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.24 . . . . 64.13 112.339 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -5.05 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.957 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -135.58 132.49 37.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 70.34 110.862 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -142.15 143.98 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 71.22 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.94 97.55 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 74.51 110.879 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 42.0 mt -90.61 108.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.16 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.2 102.93 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 65.3 110.852 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -62.27 -17.17 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.818 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -67.31 -34.09 76.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 11.8 t -108.64 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 72.03 111.12 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 160.73 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 73.51 110.907 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.28 163.03 38.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 70.22 110.923 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -27.67 26.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 71.0 112.37 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -52.67 55.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 74.53 110.894 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.2 m -64.99 -44.66 88.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 73.24 111.17 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 2.5 mp -46.21 -58.11 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.888 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -66.1 -43.63 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 71.31 110.856 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -50.42 57.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.859 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.89 -50.98 56.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.875 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -34.34 75.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.851 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -33.11 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.807 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -80.96 -61.07 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 73.34 110.942 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 3.9 p -51.67 -31.34 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 73.4 111.122 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 76.9 m -73.76 -39.35 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 75.21 111.156 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 40.2 t -65.24 -33.46 76.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 54.11 110.859 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 52.5 m -86.23 -44.64 11.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 72.1 110.857 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.73 -29.01 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.973 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.89 122.49 8.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 75.12 110.862 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -160.48 161.2 32.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 74.14 110.907 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.852 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.792 0.33 . . . . 74.42 111.146 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -91.48 174.99 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 75.42 110.869 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -141.02 163.19 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.819 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 13.1 p -132.37 133.61 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.149 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -137.51 109.66 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.24 110.936 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 163.97 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 63.44 110.863 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 6.8 t -133.95 176.89 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.809 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -55.0 -26.83 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.21 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -46.69 163.07 0.24 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 64.23 110.904 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.96 37.21 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.756 2.304 . . . . 71.33 112.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.79 61.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 75.35 110.929 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -112.93 126.88 55.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.21 110.96 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.21 107.96 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 74.22 111.086 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 99.15 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 74.43 110.823 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -90.99 136.19 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 72.24 110.93 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 20.3 p -144.85 144.73 31.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.154 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.2 mtp85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.31 110.837 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.864 0.364 . . . . 72.1 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.4 m -82.72 71.91 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 73.13 110.879 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -55.26 -37.92 67.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.839 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -123.91 -68.51 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.914 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 72.36 -68.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.931 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -35.25 59.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.858 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -30.51 24.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.905 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 12.1 t -65.27 107.63 1.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 63.52 110.91 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 153.53 43.85 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 73.32 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 75.31 112.329 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 2.2 mmm -119.98 111.1 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 72.53 110.884 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.92 154.03 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.52 110.896 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 616' ' ' ARG . 42.6 p90 -49.92 -39.31 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.94 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -59.37 5.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 73.11 110.832 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.6 -58.53 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 73.4 110.888 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 14.2 ptpt -59.24 -33.91 71.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.885 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 612' ' ' TYR . 0.4 OUTLIER -52.06 -37.03 52.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.94 72.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 72.41 110.951 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 88.9 mt -51.6 -43.19 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 75.35 110.927 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.5 t -65.97 -55.04 18.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.853 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.9 -59.74 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 75.23 110.917 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -48.92 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 73.13 110.843 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 93.1 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 74.11 111.08 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.49 -38.62 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.89 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -28.67 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.835 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 23.8 mt -61.06 159.62 26.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 74.44 110.964 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.44 34.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 75.35 112.342 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.19 -44.64 57.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.761 -0.733 . . . . 72.13 112.434 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -50.15 -38.95 41.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 73.24 110.809 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -40.72 73.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 74.12 110.905 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -63.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 75.31 110.968 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.56 -35.99 4.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 62.42 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.83 -53.54 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 75.42 110.847 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.41 -56.81 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.02 111.138 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 12.4 m -48.92 -32.36 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 74.32 111.153 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -67.12 -38.03 84.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.866 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.6 mt -62.53 -47.11 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.136 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 10.5 mt -54.14 -64.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 73.21 111.093 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.8 -24.65 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 65.23 110.916 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -35.82 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.889 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -115.12 17.28 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 74.43 110.924 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -109.83 95.86 22.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.684 0.754 . . . . 73.33 110.96 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -32.47 18.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.24 . . . . 75.31 112.38 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 8.0 t -62.53 -25.65 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.843 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.01 110.77 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 72.25 110.876 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -121.66 35.21 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.928 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.03 115.11 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 71.1 110.876 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 1.6 p -58.06 -32.86 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 73.43 110.859 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -106.81 137.41 19.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.708 . . . . 70.2 110.847 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -8.46 23.67 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.684 2.256 . . . . 63.1 112.356 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -92.29 23.02 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.846 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -145.44 135.3 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 70.52 110.826 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . 0.413 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.3 OUTLIER -138.45 140.65 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 65.35 111.13 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -119.68 98.3 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.897 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 26.1 mt -84.76 110.35 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.43 111.14 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -126.42 90.09 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.54 110.868 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 615' ' ' LYS . 20.1 m-30 -57.65 -29.18 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 75.44 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.56 -30.35 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.916 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.1 t -117.3 -25.4 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.44 111.121 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -56.02 155.97 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.899 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -88.89 162.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 74.41 110.858 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -32.2 18.77 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.617 2.212 . . . . 74.14 112.342 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.65 -51.72 64.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 72.25 110.81 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 90.2 m -67.24 -40.86 86.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 73.11 111.121 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.03 -53.76 30.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 74.11 110.905 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -33.53 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 70.42 110.866 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.23 -50.54 61.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 5.7 mt -62.67 -38.06 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 75.55 110.891 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -60.6 -28.29 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.95 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -36.14 63.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 74.14 110.934 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -76.97 -46.27 24.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.917 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.58 -32.67 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 74.14 111.094 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.6 m -74.05 -34.84 64.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.129 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.4 t -63.78 -35.59 81.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 72.42 110.805 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -42.2 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.902 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.66 -28.01 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 74.05 110.931 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.16 120.51 5.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.865 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.39 -45.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 74.55 110.877 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 38.7 mttm . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 75.44 110.915 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.813 0.34 . . . . 73.1 111.141 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 10.6 m95 -91.77 153.21 19.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.88 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -119.27 172.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 8.9 p -140.31 131.94 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 73.15 111.194 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -141.56 112.27 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 164.54 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.811 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.3 p -127.62 -175.21 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -68.01 -26.81 66.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 72.44 110.902 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -47.04 165.09 0.21 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 75.5 110.91 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.57 30.56 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.695 2.263 . . . . 74.33 112.315 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -164.93 57.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 75.11 110.881 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -106.22 136.23 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 73.23 110.873 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -134.71 112.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 75.33 111.153 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.46 96.96 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.874 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . 0.413 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 1.2 mp -96.34 139.61 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.882 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 14.8 p -148.27 147.43 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.224 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.405 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.4 mtp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 74.24 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.857 0.361 . . . . 73.01 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.8 p -126.73 -72.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.882 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 53.29 53.59 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 72.31 110.868 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.06 -53.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 74.25 110.877 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -52.54 -36.82 56.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.911 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.25 -35.09 77.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.852 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -94.44 18.65 10.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 61.13 110.871 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.07 106.3 18.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.888 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 159.18 31.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 73.15 110.832 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 161.29 46.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 70.13 112.379 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 60.1 mmm -126.95 113.88 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 73.14 110.846 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.77 159.23 22.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 65.14 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -65.33 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 75.23 110.975 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.03 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 63.41 110.91 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -55.88 -30.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -71.75 -41.03 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 72.41 110.842 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -51.79 -32.13 29.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 74.3 110.817 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 15.0 tp60 -79.39 -34.45 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.85 -42.63 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 73.53 110.887 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.2 p -59.22 -45.3 91.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.797 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.36 -53.37 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 64.44 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -51.65 -61.2 2.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 74.53 110.842 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 76.6 mt -52.93 -37.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.073 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.43 -35.64 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -28.7 61.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.849 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 9.1 mp -59.89 161.6 11.67 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.642 0.735 . . . . 63.43 110.881 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.18 35.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.262 . . . . 70.32 112.349 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -55.87 -34.3 61.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 63.13 112.455 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.82 -40.82 92.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 75.41 110.866 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -72.93 -43.38 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.864 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.54 -47.14 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 74.41 110.899 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -47.29 -43.1 18.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 73.41 112.511 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -62.87 -47.7 82.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 75.24 110.867 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 90.4 t -61.61 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 74.41 111.107 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 44.0 t -50.5 -29.14 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.32 111.158 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -67.38 -35.84 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.857 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.7 mt -68.97 -36.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.106 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 46.0 mt -72.68 -54.43 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.099 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -61.52 -18.09 57.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 65.43 110.918 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 36.0 t -96.18 -34.11 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.02 110.911 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.18 -32.6 44.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.511 . . . . 72.14 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.35 122.89 72.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.684 0.754 . . . . 73.31 110.855 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 64.51 112.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -31.47 71.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 64.22 110.863 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -167.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 73.15 110.866 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt 69.53 50.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.902 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.53 -171.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.844 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.46 -30.35 64.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 73.4 110.892 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -120.59 123.16 28.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 73.34 110.922 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -4.48 14.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.767 2.311 . . . . 74.43 112.325 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . 0.402 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.35 22.9 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.861 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.29 134.07 22.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.911 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.2 OUTLIER -141.87 137.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.112 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -115.81 97.5 6.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.88 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 9.7 mt -91.76 109.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 73.41 111.169 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -127.86 97.05 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.866 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.82 -19.39 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.898 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.17 -29.5 70.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.966 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.4 t -118.58 -26.31 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 75.44 111.112 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 158.34 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.994 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -88.25 161.45 43.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 72.02 110.816 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -31.68 19.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 64.25 112.318 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.19 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 54.3 110.918 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 91.6 m -64.22 -38.34 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 74.43 111.141 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 1.6 mp -52.83 -60.84 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 74.04 110.869 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 71.04 110.938 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.65 -35.72 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 64.31 110.938 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.5 mt -77.13 -43.19 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 61.03 110.868 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.49 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.845 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -35.58 63.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 71.01 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -79.02 -46.67 17.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 74.42 111.001 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 9.9 p -57.18 -32.38 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 75.11 111.139 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.3 m -73.3 -42.31 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 75.33 111.08 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -34.83 79.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 73.05 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -36.9 23.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.902 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.59 14.49 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.977 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.24 120.11 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 74.41 110.85 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -136.06 96.31 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.11 110.905 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.89 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 73.53 111.113 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -85.59 160.32 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -139.41 161.97 36.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.51 159.66 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 73.53 111.131 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.7 101.62 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.947 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 157.84 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 75.42 110.817 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.75 -179.52 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 63.13 110.819 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -55.26 -26.2 38.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 74.53 111.004 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -46.04 162.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.659 0.742 . . . . 74.3 110.838 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -19.38 36.32 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.244 . . . . 75.31 112.318 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.96 60.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.878 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -112.18 118.92 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 75.15 110.898 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -118.26 109.0 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 73.12 111.126 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.23 100.0 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.915 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . 0.457 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 0.5 OUTLIER -83.15 144.34 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 55.14 110.921 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 39.7 p -151.9 144.06 23.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 71.21 111.221 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.402 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 23.0 mtp85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 73.51 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.833 0.349 . . . . 74.14 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.83 104.53 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.01 110.832 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -99.09 36.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.937 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.01 40.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.963 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -130.14 -60.22 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 72.33 110.917 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.91 -35.23 72.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.9 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -30.49 70.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 65.44 110.891 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 19.6 m -90.92 105.83 18.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 73.41 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 155.75 36.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.459 0.647 . . . . 75.45 110.967 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.05 54.86 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.27 . . . . 74.1 112.318 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 56.9 mmm -135.06 113.27 11.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 72.25 110.944 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.5 110.923 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -64.37 -28.87 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 75.04 110.947 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.5 . . . . 72.43 110.862 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -68.47 -33.03 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.875 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -60.4 -57.69 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 74.3 110.978 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -51.66 -33.28 32.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.831 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -34.3 76.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.942 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 40.4 mt -69.89 -53.94 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.91 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 3.1 p -51.0 -37.97 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.841 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 71.41 110.905 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.14 -61.04 2.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 74.43 110.841 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.79 -40.55 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.096 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.58 -41.53 99.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.03 110.813 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -69.34 -28.41 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 70.35 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 3.6 mp -62.35 160.48 32.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 75.31 110.909 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 165.06 32.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 75.42 112.346 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.2 -57.66 9.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 71.42 112.475 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -50.19 -39.7 44.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 72.15 110.89 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 2.7 mmtm -67.19 -40.31 86.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 73.23 110.893 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.81 -49.19 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.882 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.29 -39.35 5.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.41 112.494 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -48.8 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 73.04 110.817 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 31.4 t -61.06 -56.02 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 75.24 111.172 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 16.6 t -50.62 -33.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.078 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -64.6 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 74.44 110.895 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.2 mt -69.1 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.31 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 65.9 mt -54.06 -44.37 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 111.128 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -70.44 -14.3 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 54.04 110.903 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.3 m -90.65 -35.67 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -32.76 16.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 71.01 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -51.59 125.06 27.21 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.612 0.72 . . . . 74.12 110.892 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -42.73 3.05 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.661 2.241 . . . . 74.53 112.286 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -35.56 81.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 65.32 110.802 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -52.12 103.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 73.11 110.941 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -161.34 35.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 75.23 110.86 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -96.83 158.45 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 75.11 110.891 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 40.5 m -86.83 7.12 28.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 73.4 110.867 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -112.79 91.21 16.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.617 0.723 . . . . 72.43 110.918 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -8.1 22.74 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.754 2.302 . . . . 74.25 112.354 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 6.19 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.827 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.42 136.78 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 72.42 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -143.18 141.82 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 74.5 111.099 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -118.19 98.33 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.836 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.85 108.88 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 75.24 111.179 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' B' ' 400' ' ' LYS . 0.0 OUTLIER -109.27 96.38 6.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.808 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 -56.4 -26.15 52.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.841 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -56.95 -40.27 76.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 63.31 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 8.8 t -104.51 -19.75 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 64.0 111.117 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 7.2 tp -55.9 144.26 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.923 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.16 162.33 40.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 74.4 110.829 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.7 17.81 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 75.51 112.308 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -43.93 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 61.31 110.835 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 23.8 m -72.61 -43.37 63.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.01 111.124 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -59.52 4.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 71.13 110.915 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.84 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.854 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.92 -33.86 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.902 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 2.7 mt -75.94 -56.35 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.945 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -51.96 -31.1 27.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.842 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -34.89 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -79.13 -49.1 13.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.948 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.3 p -53.98 -33.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 72.53 111.121 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 21.4 m -82.15 -33.84 29.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.32 111.127 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -34.03 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.1 110.885 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 68.2 m -84.46 -50.7 7.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 60.44 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 11.5 tp -69.97 -28.12 65.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 75.4 110.981 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.39 64.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 72.24 110.828 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 147.15 33.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.193 -0.458 . . . . 75.52 110.872 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 71.15 110.938 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.83 0.348 . . . . 70.25 111.123 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -87.2 161.77 17.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 73.3 110.929 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -139.75 164.66 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 74.33 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 1.5 p -137.91 144.53 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 73.43 111.154 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -137.21 99.66 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.924 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 170.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.827 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.55 -169.2 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.8 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -70.73 -29.34 65.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 73.21 110.934 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -47.6 164.9 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.647 0.736 . . . . 74.21 110.865 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 -12.91 34.0 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 73.24 112.425 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -178.95 59.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.893 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 655' ' ' ASP . 0.9 OUTLIER -108.95 119.48 39.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 73.53 110.851 179.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.44 111.97 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.151 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -86.65 106.2 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.05 110.839 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.01 110.925 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 19.7 p -146.5 143.14 28.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 75.01 111.149 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 74.11 110.933 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.853 0.359 . . . . 71.22 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 3.0 p -109.25 -74.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 72.51 110.838 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 57.84 38.17 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.897 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -169.98 -69.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 74.42 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -57.25 -36.24 70.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.91 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.42 -26.2 17.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.863 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -29.67 70.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 71.31 110.895 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.1 p -48.95 138.61 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 52.45 110.96 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -98.53 154.34 37.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 75.4 110.876 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 161.04 47.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 75.23 112.332 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.6 mmm -123.81 106.84 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 75.1 110.848 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 148.59 50.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.904 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -44.24 -35.87 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 73.1 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 -48.75 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 70.55 110.924 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.811 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.874 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -68.39 -45.76 71.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.841 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -55.75 -28.94 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 74.34 110.856 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.05 -28.75 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 71.1 110.883 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 30.5 p -65.02 -46.64 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 54.04 110.829 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.2 tp -77.89 -40.87 38.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.16 -58.32 5.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.847 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 33.2 mt -57.9 -38.85 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 72.01 111.144 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -37.71 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.885 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -70.77 -28.64 64.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.424 ' HB3' ' HD2' ' A' ' 626' ' ' PRO . 23.7 mt -68.3 160.48 75.3 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 72.13 110.918 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . 0.424 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 54.1 Cg_endo -69.68 164.67 33.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 73.34 112.348 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.56 54.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 60.54 112.471 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.04 -40.19 30.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 64.34 110.873 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.68 -35.76 70.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.86 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . 0.465 HD23 ' HG ' ' B' ' 403' ' ' LEU . 0.1 OUTLIER -63.46 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 70.33 110.908 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.63 -35.62 2.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.23 112.574 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -53.76 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 74.1 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.93 -52.91 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.31 111.151 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 6.7 m -48.38 -32.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.186 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -70.62 -37.21 73.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.507 . . . . 62.03 110.829 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.53 -37.72 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 71.25 111.144 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.72 -65.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.52 111.127 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -53.96 -24.32 16.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 75.54 110.913 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -71.24 -34.88 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.821 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -115.14 17.4 16.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 75.4 110.899 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -109.92 103.93 54.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 62.41 110.834 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -32.46 18.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.633 2.222 . . . . 73.53 112.358 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -32.29 73.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 62.33 110.843 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.63 101.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 73.44 110.885 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -118.61 35.96 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.43 110.861 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -81.92 103.67 11.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 74.5 110.874 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 17.6 m -57.7 -27.76 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 62.23 110.869 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -104.57 130.19 23.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 74.21 110.84 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -12.21 32.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.252 . . . . 73.11 112.395 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' B' ' 405' ' ' ARG . 4.9 t70 -83.13 11.69 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.884 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -150.29 129.69 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.4 110.895 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.38 133.67 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.094 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -117.4 98.73 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 75.43 110.919 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 36.3 mt -91.54 108.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 72.11 111.136 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -106.19 96.04 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -57.65 -28.4 63.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.876 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -54.27 -34.22 60.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 73.45 110.854 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.6 t -112.45 -21.23 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 75.54 111.069 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.34 154.18 6.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 75.5 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -88.19 158.84 49.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 74.44 110.908 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -38.1 8.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 70.55 112.317 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.06 56.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 71.52 110.875 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 25.5 m -63.29 -44.37 95.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.17 -0.468 . . . . 63.13 111.171 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.56 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 75.3 110.899 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -34.66 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 65.32 110.946 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.44 -34.63 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.962 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 1.2 mt -77.4 -44.84 27.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 75.44 110.885 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -59.59 -27.64 66.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.464 . . . . 73.4 110.892 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.32 -35.67 47.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.832 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -78.88 -36.58 41.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.942 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 7.8 p -69.91 -31.75 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.167 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -76.43 -31.07 57.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 62.42 111.195 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 21.9 t -71.92 -34.09 68.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.825 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.6 m -85.85 -50.96 6.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.83 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 1.3 tt -70.06 -28.24 65.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.945 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 63.21 61.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.843 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.34 142.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.33 110.9 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 64.23 110.911 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.741 0.305 . . . . 62.14 111.148 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 16.2 m95 -89.49 156.29 18.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.928 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -130.01 175.07 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 71.2 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 14.8 p -137.99 131.5 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 71.32 111.144 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -139.77 112.34 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 168.87 17.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.914 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.48 -173.13 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 75.23 110.812 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -65.27 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 74.53 110.9 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.34 165.29 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 73.33 110.889 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.86 37.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 62.52 112.35 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.85 56.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.9 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -102.08 103.86 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.43 110.858 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -102.05 110.52 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 72.41 111.113 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 95.93 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.4 110.839 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . 0.465 ' HG ' HD23 ' A' ' 630' ' ' LEU . 0.3 OUTLIER -89.82 139.01 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 73.44 110.88 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 27.1 p -149.04 141.24 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 61.13 111.14 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.41 ' HB2' ' CG ' ' A' ' 650' ' ' ASP . 54.5 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 74.55 110.85 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.875 0.369 . . . . 73.14 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 10.8 m 63.83 107.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 65.22 110.853 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -94.87 35.9 1.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.45 110.854 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -145.49 -42.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.9 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.06 -38.47 20.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 72.35 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -52.21 -35.1 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -75.3 -30.41 60.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.841 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 50.5 m -84.35 113.68 21.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.404 . . . . 72.45 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -93.37 153.41 41.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 75.43 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 161.1 47.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 74.21 112.351 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 24.0 mmm -125.66 129.76 50.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.83 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.04 154.36 22.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.827 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -50.91 -35.15 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 75.13 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -59.24 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 75.15 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 63.41 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -32.85 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.929 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -45.25 78.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.834 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -67.98 -26.24 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.93 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.72 -48.95 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 71.31 110.985 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -41.56 68.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 73.23 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.83 -61.04 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 75.11 110.841 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 97.0 mt -53.64 -35.73 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 73.42 111.084 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.76 -41.14 88.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 74.42 110.873 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -69.19 -28.83 66.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.33 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.78 162.15 23.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 65.13 110.906 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 163.83 36.84 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.681 2.254 . . . . 75.24 112.316 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.6 -48.35 55.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 75.33 112.435 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -49.6 -38.01 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 72.11 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -59.13 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 74.2 110.927 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 2.0 tt -51.87 -45.29 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.33 110.938 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -50.5 -40.24 38.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 71.41 112.465 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.44 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 74.31 110.912 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.29 -56.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.081 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.402 HG22 HD11 ' A' ' 652' ' ' ILE . 3.0 p -50.03 -34.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.212 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -36.34 83.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 74.4 110.821 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.9 mt -65.23 -56.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 72.21 111.139 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 4.1 mp -49.93 -62.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.53 111.133 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -50.45 -28.74 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 74.14 110.9 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -49.91 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.888 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -97.47 17.21 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 73.54 110.97 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -109.73 92.77 12.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.653 0.739 . . . . 73.42 110.848 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -31.74 19.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 73.42 112.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -28.29 68.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.23 110.822 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.66 108.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.891 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -124.62 35.2 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.897 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -69.41 124.59 24.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.871 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 6.2 p -60.09 -34.54 73.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 75.53 110.841 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -110.01 136.74 20.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 73.52 110.891 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -7.69 21.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 72.04 112.342 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . 0.418 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.1 OUTLIER -91.4 22.43 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.04 110.854 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -148.41 135.78 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.15 110.892 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . 0.504 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.48 144.93 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.132 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -118.43 97.96 6.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 64.52 110.89 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 27.9 mt -89.58 108.64 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 74.1 111.178 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.15 104.37 9.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.861 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 659' ' ' LEU . 16.7 m-85 -63.46 -14.72 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.84 -26.21 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 70.23 110.924 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 13.2 t -118.34 -24.92 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 73.44 111.166 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 6.3 mt -54.69 160.2 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 73.4 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -89.26 162.56 36.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.531 0.681 . . . . 74.41 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.64 28.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.626 2.218 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -54.77 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.83 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 5.2 m -57.26 -40.44 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 74.41 111.139 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.78 -46.76 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.916 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -70.41 -34.38 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 75.23 110.905 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.66 -45.3 63.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.844 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.14 -49.24 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 64.43 110.934 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -55.77 -27.32 50.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.817 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -34.11 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.845 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -79.09 -47.21 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.91 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 7.3 p -56.78 -33.14 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.1 111.098 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.8 m -76.99 -34.75 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 74.42 111.157 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 39.5 t -74.19 -35.42 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 73.12 110.861 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -50.23 11.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.862 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.69 -28.13 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.89 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.62 170.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.887 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 -172.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 74.23 110.894 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 75.42 110.964 179.8 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.751 0.31 . . . . 74.12 111.15 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -73.29 155.51 39.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 75.13 110.873 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -136.22 174.5 10.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 73.01 110.83 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 68.1 t -150.39 143.07 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.156 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -136.22 108.97 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 73.45 110.963 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 165.44 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.92 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 8.3 t -134.51 179.84 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 62.53 110.827 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.92 -26.3 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 54.43 110.918 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -46.51 163.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 74.13 110.911 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.72 36.61 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.66 2.24 . . . . 71.44 112.296 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -177.43 60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.831 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -115.56 119.34 35.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.866 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.61 112.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.52 111.156 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -82.58 103.69 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.87 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . 0.504 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 5.1 mp -88.3 135.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 73.23 110.91 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 25.7 p -147.43 141.76 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 74.33 111.185 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.418 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.0 mtp85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 64.44 110.884 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.897 0.38 . . . . 75.33 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.81 112.61 21.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 63.11 110.875 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -104.61 36.6 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.34 110.921 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.04 38.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 71.24 110.877 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.95 -58.86 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.948 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -68.72 -35.16 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.849 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.84 -30.53 71.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 74.42 110.887 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 31.8 m -85.98 106.31 17.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 73.42 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -97.64 156.41 36.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 72.51 110.899 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 74.35 112.322 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 43.6 mtp -150.35 119.22 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.902 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.4 t -80.82 -179.46 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.852 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 30.2 p90 -61.63 -25.56 67.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.926 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -60.92 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.906 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.12 -21.83 64.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 74.52 110.836 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . 0.458 ' HB3' ' HG ' ' B' ' 399' ' ' LEU . 0.0 OUTLIER -70.37 -56.82 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.924 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -28.2 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.88 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -78.91 -55.48 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.33 110.946 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 1.6 pp -61.57 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 73.3 110.937 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 5.5 p -65.48 -47.41 76.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 63.25 110.856 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.99 -48.45 65.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 74.51 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.4 -55.31 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.823 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 60.5 mt -52.14 -35.95 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.34 111.081 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -72.75 -35.95 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 74.13 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -28.55 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 72.22 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 6.5 mp -57.16 161.37 5.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 75.53 110.871 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 164.55 34.2 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.706 2.27 . . . . 75.11 112.324 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.64 -57.82 10.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 74.03 112.535 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -49.3 -37.79 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 73.11 110.884 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -67.26 -39.62 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 73.13 110.944 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 2.0 tt -63.92 -46.83 83.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.924 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.04 -38.32 38.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 64.11 112.495 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -40.4 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 73.51 110.831 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 17.5 t -62.25 -63.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 62.4 111.062 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . 0.409 HG21 HD12 ' A' ' 652' ' ' ILE . 1.6 p -49.3 -33.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.143 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -47.56 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.838 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.43 -52.26 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 71.51 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 46.3 mt -60.28 -27.39 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 73.04 111.109 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -63.79 -37.64 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 60.11 110.919 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.23 -24.7 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.906 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.77 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 65.54 110.815 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -92.18 108.13 28.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 73.54 110.898 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -41.68 4.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 75.42 112.333 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.1 -27.16 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.827 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 4.1 tt -47.36 114.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 72.34 110.958 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -141.21 34.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.11 110.834 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -68.33 126.5 29.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.05 -33.76 69.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 73.42 110.874 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -111.22 136.37 20.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 70.4 110.88 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -7.44 21.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 75.31 112.326 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.53 16.75 7.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 64.44 110.869 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -148.19 139.68 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.845 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.06 139.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 74.43 111.139 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -115.7 99.81 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.851 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 8.0 mt -86.32 109.76 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.165 -0.47 . . . . 74.21 111.132 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.18 100.91 10.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . 0.455 ' HA ' ' HB2' ' A' ' 659' ' ' LEU . 5.5 t80 -53.7 -34.47 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 75.3 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.64 -27.75 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 75.44 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 p -112.36 11.89 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 64.15 111.134 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . 0.455 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 17.2 mt -92.19 144.16 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.86 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.58 164.11 30.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.566 0.698 . . . . 75.21 110.889 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.05 32.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 62.13 112.338 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -52.55 17.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 73.23 110.76 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 25.2 m -59.69 -33.83 72.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.115 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . 0.406 HD23 ' HG2' ' A' ' 615' ' ' LYS . 1.1 tp -62.8 -44.6 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 70.42 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -40.34 46.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.842 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.44 -55.09 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 71.32 110.866 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 2.9 mt -63.51 -37.5 87.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.919 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -63.92 -25.84 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 74.33 110.938 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -75.33 -34.51 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 75.35 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.91 -41.18 37.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.818 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.78 -32.18 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 74.35 111.159 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.1 m -76.34 -28.72 56.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 74.45 111.191 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.9 t -71.01 -34.26 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 63.02 110.953 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 22.6 t -87.71 -51.0 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.521 . . . . 73.14 110.863 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -28.2 66.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 74.3 110.901 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 57.63 36.93 27.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.891 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.69 116.38 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 71.24 110.875 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.893 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.754 0.312 . . . . 74.33 111.136 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -75.45 154.11 37.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.892 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -133.25 176.34 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 63.12 110.89 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 90.0 t -150.58 137.5 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 75.35 111.119 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -138.63 110.24 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 72.54 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 172.56 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 74.23 110.836 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -132.71 178.48 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.913 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -57.95 -28.61 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.898 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.31 165.11 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 70.12 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.03 37.19 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.647 2.231 . . . . 72.44 112.384 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . 0.458 ' HG ' ' HB3' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -174.37 56.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 75.14 110.904 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -102.04 98.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 75.43 110.917 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 2.1 mp -93.41 128.57 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 74.42 111.051 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.64 100.15 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 74.23 110.89 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 652' ' ' ILE . 5.6 mp -91.79 135.95 33.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 74.43 110.987 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 21.5 p -148.45 142.21 25.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.13 111.168 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.425 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.5 mtp85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 75.41 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.85 0.357 . . . . 74.03 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.61 -70.95 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.826 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 52.92 37.34 24.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 72.13 110.886 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -179.03 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 73.51 110.929 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -60.34 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 60.25 110.876 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -55.88 -35.18 66.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 65.4 110.917 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -30.64 71.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.883 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 91.3 m -90.7 106.09 18.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 55.13 110.865 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.64 156.01 36.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.539 0.685 . . . . 75.32 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 157.83 59.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.257 . . . . 74.21 112.366 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.4 mmm -128.64 128.13 43.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 9.2 m -95.39 178.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.865 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -68.24 -28.06 66.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 74.1 110.907 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -61.1 2.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 71.53 110.925 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -29.17 69.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 74.12 110.899 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -66.66 -60.54 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 64.02 110.886 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -28.11 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.11 110.894 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.17 -42.41 46.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 74.12 110.852 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.61 -33.38 75.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 64.4 110.863 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.5 -50.21 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.849 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 14.7 tp -74.99 -44.49 47.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 75.22 110.97 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -50.01 -61.17 2.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 62.12 110.915 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.78 -34.99 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 70.32 111.103 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 60.42 110.889 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.05 110.942 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 626' ' ' PRO . 4.5 mm? -75.68 161.04 77.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 75.11 110.904 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . 0.402 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 53.9 Cg_endo -69.76 164.61 33.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 75.13 112.337 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.63 -41.31 42.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 73.22 112.493 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -49.76 -40.06 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 74.3 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -52.29 19.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 73.54 110.952 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.75 -51.94 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 74.02 110.948 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.83 -46.0 9.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.776 -0.726 . . . . 73.33 112.443 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -41.42 99.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 75.34 110.897 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 87.3 t -69.55 -59.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 74.05 111.085 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 5.9 t -47.78 -33.51 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 75.12 111.105 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.37 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.823 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.1 mt -50.78 -59.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 75.11 111.14 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 13.2 mt -66.13 -23.7 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 74.35 111.076 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -37.98 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 70.52 110.953 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 -24.19 15.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 75.41 110.902 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -78.49 -32.62 48.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 75.04 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.83 115.39 51.71 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.64 0.733 . . . . 75.03 110.84 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -39.37 6.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 75.2 112.361 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 2.0 t -54.91 -33.57 62.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.896 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.68 87.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.43 110.938 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -113.35 41.35 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.885 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -117.7 142.77 46.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.1 110.908 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.19 7.49 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 64.13 110.823 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -104.05 99.36 16.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 73.53 110.951 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -8.0 22.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 74.44 112.354 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . 0.448 ' HA ' ' CG ' ' B' ' 405' ' ' ARG . 1.5 t70 -78.6 0.44 26.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 72.21 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.24 124.31 13.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 75.13 110.833 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.56 140.58 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.51 111.162 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -118.14 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 70.12 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 18.1 mt -96.21 108.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 72.15 111.116 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.58 103.73 9.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.913 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -60.16 -30.54 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 72.45 110.883 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.66 -31.6 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.1 t -114.35 -24.52 8.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.194 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.4 tp -55.56 153.65 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.946 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.11 161.49 43.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 73.34 110.915 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -33.52 16.46 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.714 2.276 . . . . 73.43 112.324 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -57.53 -53.17 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 73.34 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 94.7 m -67.11 -46.34 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 64.42 111.138 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.47 -47.31 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 73.44 110.928 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.6 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.12 110.88 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -56.26 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.45 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.69 -57.76 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.923 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.83 -35.07 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 64.43 110.91 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -33.56 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 71.51 110.863 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -56.44 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 4.1 p -55.57 -31.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 70.43 111.15 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 58.8 m -75.06 -35.74 61.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 74.03 111.188 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.9 t -72.73 -32.35 65.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 64.34 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 1.7 t -82.06 -47.71 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 73.1 110.871 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.21 14.62 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.885 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 59.01 -171.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 73.52 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -141.01 122.32 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.852 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 17.8 tttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 65.2 110.876 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.76 0.314 . . . . 74.35 111.188 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . 0.43 ' CZ2' ' HG3' ' B' ' 405' ' ' ARG . 12.5 m95 -76.77 170.21 16.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 64.23 110.877 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -155.6 172.73 17.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.877 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 3.7 p -140.94 154.58 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.15 111.123 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -160.88 123.21 3.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 63.05 110.84 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.19 151.78 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.862 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.47 -172.22 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.21 110.878 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -51.66 -31.93 27.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -47.37 163.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 74.25 110.922 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -18.53 37.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.795 2.33 . . . . 73.45 112.368 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.55 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -106.31 92.09 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.954 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -83.3 110.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.07 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.14 107.97 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 75.15 110.875 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -93.55 142.14 27.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.913 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 56.1 p -149.18 141.1 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.147 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . 0.448 ' CG ' ' HA ' ' A' ' 650' ' ' ASP . 4.3 mtt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 73.53 110.878 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.812 0.339 . . . . 54.55 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.6 -74.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 72.35 110.876 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 51.88 35.0 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 74.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -179.8 35.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.931 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.8 136.79 36.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 73.23 110.88 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -92.24 -34.2 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 64.53 110.818 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.22 18.8 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 74.45 110.921 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.3 p -50.7 107.26 0.16 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 64.43 110.857 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -83.65 153.3 64.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 75.02 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 150.0 67.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.62 2.214 . . . . 74.03 112.353 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 18.0 mmm -116.12 106.84 14.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 72.05 110.922 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.7 155.76 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.13 110.838 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -49.5 -31.78 10.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 75.11 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -62.56 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.846 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -70.71 -30.72 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 63.45 110.816 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -64.14 -50.35 68.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.884 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 617' ' ' GLN . 0.0 OUTLIER -56.36 -31.5 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 73.42 110.888 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 0.0 OUTLIER -63.17 -39.84 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.936 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.45 110.836 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.33 -54.46 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 54.03 110.83 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.82 -51.1 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 71.23 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.2 -59.51 3.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 70.13 110.902 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 3.4 mt -63.33 -33.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.101 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.14 -41.48 98.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.929 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -77.18 -28.49 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 74.15 110.838 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 3.9 mp -63.07 160.84 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 73.35 110.946 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.64 33.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 74.2 112.323 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.35 -51.38 37.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 73.34 112.544 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -49.95 -39.34 40.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.379 . . . . 71.3 110.86 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -35.95 77.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.926 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -52.18 19.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.944 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.64 5.07 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.802 -0.713 . . . . 74.55 112.462 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -47.07 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 75.21 110.883 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.23 -58.12 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 70.1 111.12 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' VAL . . . . . . . . . . . . . 7.9 t -50.01 -34.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.129 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -37.34 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.895 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' ILE . . . . . 0.408 ' HB ' HD12 ' A' ' 667' ' ' LEU . 1.0 OUTLIER -70.55 -58.72 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.144 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' ILE . . . . . . . . . . . . . 47.3 mt -55.17 -40.37 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 75.34 111.189 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -75.33 -14.19 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.878 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 14.9 t -88.38 -26.03 22.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -103.55 -34.51 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 65.41 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -50.24 107.24 0.76 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.74 . . . . 74.55 110.856 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 -39.16 6.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.626 2.217 . . . . 73.12 112.333 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.49 -34.65 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.856 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 2.8 tp -49.03 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 73.35 110.91 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 45.62 45.86 11.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.93 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.26 155.03 39.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.867 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 7.4 m -98.75 8.11 45.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 71.33 110.819 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -107.58 91.9 7.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.632 0.729 . . . . 75.2 110.949 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.8 37.3 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.719 2.279 . . . . 74.21 112.317 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -8.3 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 71.33 110.859 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -140.61 132.52 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.864 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.27 143.76 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 72.43 111.139 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 97.75 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 65.54 110.915 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' ILE . . . . . . . . . . . . . 22.0 mt -89.97 108.89 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.31 111.155 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -114.93 94.19 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.843 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' PHE . . . . . . . . . . . . . 7.2 m-30 -51.88 -27.82 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 73.02 110.903 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -54.22 -35.15 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 7.6 t -112.5 -20.94 11.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 65.13 111.094 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.39 144.79 24.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.982 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.39 161.45 42.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 74.42 110.841 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -38.04 8.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 72.45 112.29 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.9 -48.73 60.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.879 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 84.7 m -70.94 -49.92 40.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.142 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.95 -48.27 43.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 75.11 110.956 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -63.59 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.14 110.942 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -56.55 19.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.874 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' LEU . . . . . 0.408 HD12 ' HB ' ' A' ' 636' ' ' ILE . 0.4 OUTLIER -51.13 -47.7 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.45 110.892 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -51.97 -35.49 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.884 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.86 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.91 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -83.43 -51.82 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 61.54 110.977 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 5.0 p -56.57 -32.09 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 74.04 111.156 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.7 m -78.76 -34.62 45.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 64.22 111.145 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.0 t -69.06 -32.95 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 72.15 110.907 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 79.9 m -87.38 -50.51 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 12.8 tp -66.97 -28.09 67.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.03 110.898 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.94 41.17 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.856 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.56 169.15 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.55 110.934 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.2 tttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 74.43 110.955 179.798 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.808 0.337 . . . . 73.22 111.133 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -88.56 173.7 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 74.24 110.936 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -146.13 161.17 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.43 110.845 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 392' ' ' VAL . . . . . . . . . . . . . 3.9 p -137.81 142.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.31 111.178 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -141.64 111.19 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.923 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 158.44 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 75.51 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 7.8 t -124.99 -170.91 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 70.22 110.908 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -63.58 -24.5 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.994 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -45.75 162.37 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 74.14 110.896 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -17.47 37.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 73.32 112.327 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 399' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.33 60.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 75.1 110.89 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -112.07 121.48 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.902 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 401' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.11 113.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.183 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.07 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.881 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 403' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.8 138.48 34.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 75.24 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 25.5 p -148.31 143.24 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.163 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.44 110.845 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 74.14 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 157.99 36.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 64.41 110.884 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 609' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.4 Cg_endo -69.68 157.96 58.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 72.2 112.372 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.507 ' HB2' HD23 ' A' ' 664' ' ' LEU . 15.8 mmm -117.09 120.76 39.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 61.13 110.867 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.35 149.23 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 53.54 110.85 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -51.3 -33.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.935 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -51.04 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 75.11 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -47.66 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 54.33 110.919 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.477 ' HE3' HD21 ' A' ' 664' ' ' LEU . 5.0 mtpt -52.14 -39.61 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.21 110.934 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.746 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.865 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -57.0 -23.77 48.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.435 HD21 ' CG ' ' A' ' 668' ' ' GLU . 1.0 OUTLIER -77.24 -45.73 25.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.908 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 619' ' ' SER . . . . . 0.629 ' HB3' HD11 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -51.7 -45.9 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 61.45 110.903 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.12 -48.59 56.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -52.65 -56.37 15.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.857 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 94.7 mt -51.86 -35.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 44.33 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -72.61 -33.21 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.1 110.934 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.99 -28.7 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.896 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 1.026 HD11 HG23 ' A' ' 671' ' ' VAL . 14.7 mt -57.89 154.62 27.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 54.03 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 626' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 53.8 Cg_endo -69.78 165.31 31.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 53.44 112.346 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -49.05 -56.34 10.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 55.02 112.483 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -50.43 -38.31 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 61.53 110.912 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -67.53 -35.35 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 73.24 110.926 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' B' ' 390' ' ' TRP . 0.6 OUTLIER -65.46 -47.51 75.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 61.32 110.959 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.3 -40.28 45.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 62.22 112.509 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -45.27 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 74.12 110.839 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 629' ' ' LYS . 38.4 t -62.11 -56.61 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 65.3 111.13 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 1.044 HG22 HD23 ' B' ' 403' ' ' LEU . 19.4 t -51.04 -33.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 75.01 111.114 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -64.32 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 55.34 110.859 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.461 HD12 HD23 ' A' ' 667' ' ' LEU . 3.7 mt -56.28 -51.9 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.144 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.757 HD13 HD13 ' A' ' 654' ' ' ILE . 5.9 mt -72.16 -31.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.131 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -65.42 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.88 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -27.55 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.866 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.52 -32.85 48.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.658 0.742 . . . . 75.15 110.818 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.804 0.252 . . . . 61.51 112.368 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 10.68 17.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.847 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.437 ' HG2' HG22 ' B' ' 404' ' ' THR . 2.7 tt0 -144.91 145.38 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.877 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -142.25 141.92 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 61.02 111.124 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -116.06 99.67 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.774 HD11 HD22 ' B' ' 403' ' ' LEU . 4.8 mt -95.84 109.13 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.18 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -121.23 99.06 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.893 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' B' ' 399' ' ' LEU . 13.9 m-30 -58.13 -20.35 39.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.893 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.32 -31.48 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.7 t -117.48 -24.92 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 62.02 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -55.36 156.97 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.931 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -88.72 163.35 35.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.703 . . . . 55.15 110.902 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 661' ' ' PRO . . . . . 0.4 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.6 Cg_endo -69.76 -30.08 22.85 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.691 2.261 . . . . 53.41 112.324 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -61.63 -52.52 64.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 63.22 110.814 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 51.6 m -64.12 -45.95 86.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 55.13 111.139 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.1 mp -50.41 -57.52 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 43.12 110.944 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -64.19 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.871 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.48 -44.58 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 54.11 110.905 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.72 HD11 HD11 ' A' ' 637' ' ' ILE . 10.4 mt -70.15 -35.5 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.33 110.898 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.53 ' HA ' HG12 ' A' ' 671' ' ' VAL . 13.9 tm-20 -64.04 -33.03 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.901 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.02 110.866 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -83.93 -36.28 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 64.5 110.924 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 1.026 HG23 HD11 ' A' ' 625' ' ' LEU . 4.4 p -75.07 -31.97 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 71.54 111.153 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -79.54 -33.0 42.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.11 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 55.11 110.855 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.752 0.311 . . . . 72.04 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.682 ' HB3' HD13 ' A' ' 630' ' ' LEU . 5.6 m95 -71.12 155.13 41.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -126.01 167.89 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.901 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.543 HG22 ' CD1' ' B' ' 403' ' ' LEU . 73.2 t -151.7 145.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 74.11 111.134 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.3 117.95 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 54.24 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 172.49 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.874 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.0 -172.51 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.818 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -60.73 -27.96 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 54.53 110.888 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.52 164.62 0.24 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.679 0.752 . . . . 71.15 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -18.57 37.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 72.24 112.373 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.746 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.2 OUTLIER -176.68 57.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 60.55 110.937 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -103.93 101.83 11.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.874 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.638 HG22 ' CD1' ' B' ' 403' ' ' LEU . 1.5 mp -92.31 114.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.3 111.097 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.35 106.32 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.902 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 1.044 HD23 HG22 ' A' ' 634' ' ' VAL . 1.7 mp -99.94 136.1 40.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 61.5 110.916 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.437 HG22 ' HG2' ' A' ' 651' ' ' GLU . 29.5 p -150.32 146.12 26.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.143 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.906 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.868 0.366 . . . . 43.23 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -98.38 153.39 38.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 63.23 110.827 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.71 48.7 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 71.5 112.383 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 7.2 mmm -132.39 132.37 42.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 73.43 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.66 177.07 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.825 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -62.82 -25.99 68.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 74.45 110.935 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -60.72 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 62.43 110.866 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.76 -25.54 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.03 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -70.77 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.847 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.488 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -48.38 -33.22 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.926 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -71.29 -51.85 22.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 61.34 110.905 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 619' ' ' SER . 0.1 OUTLIER -60.56 -40.59 92.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 54.45 110.989 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 619' ' ' SER . . . . . 0.539 ' N ' HD23 ' A' ' 618' ' ' LEU . 53.6 p -51.6 -47.11 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 73.24 110.876 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.02 -44.24 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.926 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.65 -60.41 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 71.24 110.903 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.762 HD13 HG11 ' A' ' 633' ' ' VAL . 87.4 mt -57.83 -35.79 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 75.44 111.159 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 623' ' ' ASN . . . . . 0.422 ' OD1' HG11 ' B' ' 392' ' ' VAL . 4.4 t30 -62.78 -35.71 80.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.2 110.87 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -69.04 -28.61 66.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.894 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.461 HD23 ' HG3' ' A' ' 629' ' ' LYS . 6.4 mp -69.17 161.43 73.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 61.24 110.874 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.39 34.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 72.31 112.275 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.11 -39.68 42.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 31.12 112.502 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -49.83 -39.33 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 72.01 110.871 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 633' ' ' VAL . 30.9 mmmt -70.97 -35.3 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.919 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.905 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -63.71 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.924 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.76 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 52.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -72.69 -49.88 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 74.22 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 622' ' ' ILE . 61.2 t -68.69 -58.55 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 51.44 111.151 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.905 HG11 HD23 ' A' ' 630' ' ' LEU . 10.8 m -46.55 -31.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.108 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -67.55 -46.27 73.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 64.12 110.903 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.27 -45.39 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 75.45 111.112 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 667' ' ' LEU . 2.8 mp -56.2 -60.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.24 111.146 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 638' ' ' GLN . . . . . 0.681 ' HB3' HD11 ' A' ' 652' ' ' ILE . 19.7 pt20 -62.04 -14.79 39.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.14 110.93 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -42.47 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -105.1 -35.27 7.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 53.33 110.845 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 72.22 110.906 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.188 0 CA-C-O 120.9 0.292 . . . . 42.44 112.398 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 650' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 650' ' ' ASP . 0.0 OUTLIER -73.98 -3.29 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 53.34 110.876 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' B' ' 404' ' ' THR . 56.0 tt0 -129.34 138.1 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.865 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.7 OUTLIER -141.51 139.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 74.15 111.129 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -116.43 98.37 6.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 75.43 110.893 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.685 ' CD1' HD23 ' B' ' 403' ' ' LEU . 4.8 mt -98.32 109.94 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 70.41 111.17 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.33 104.9 8.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 62.21 110.924 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.666 ' CE2' HD12 ' B' ' 399' ' ' LEU . 21.7 m-85 -57.58 -27.7 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 71.15 110.873 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -49.21 -32.8 11.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 55.31 110.94 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.5 t -118.74 -23.72 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.05 111.153 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.84 151.38 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.919 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.613 ' O ' HD12 ' A' ' 664' ' ' LEU . 0.8 OUTLIER -88.52 160.78 44.11 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 70.43 110.935 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.35 10.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.707 2.271 . . . . 75.51 112.346 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -53.47 -48.27 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 70.12 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.467 HG21 ' HA ' ' A' ' 637' ' ' ILE . 57.4 m -74.67 -40.77 61.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 75.43 111.083 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 660' ' ' LYS . 0.1 OUTLIER -53.84 -56.64 15.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 53.01 110.934 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -61.55 -35.76 78.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.939 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -50.41 -35.29 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.694 HD13 HD11 ' A' ' 637' ' ' ILE . 1.4 mt -75.06 -49.78 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 74.12 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.421 ' HA ' HG12 ' A' ' 671' ' ' VAL . 16.7 tt0 -55.84 -26.54 47.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.857 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.79 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 64.32 110.913 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -77.25 -39.62 47.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.954 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 668' ' ' GLU . 8.6 p -67.24 -31.47 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.151 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 82.7 m -74.36 -33.32 63.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 65.14 111.099 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.01 110.816 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.757 0.313 . . . . 74.44 111.143 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.796 ' HB3' HD22 ' A' ' 630' ' ' LEU . 12.2 m95 -92.05 155.05 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 74.41 110.905 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -125.51 169.96 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.867 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.49 HG23 ' CG2' ' B' ' 401' ' ' ILE . 7.6 p -135.52 147.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 60.15 111.191 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -168.14 119.46 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 71.45 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.09 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 64.23 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.09 -174.53 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 54.45 110.871 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.11 -31.14 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 54.25 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.415 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.5 OUTLIER -47.43 164.56 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 72.44 110.955 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.724 2.282 . . . . 74.43 112.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.666 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -178.59 59.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 71.53 110.909 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 18.3 ttmt -107.2 104.45 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.937 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.49 ' CG2' HG23 ' B' ' 392' ' ' VAL . 1.6 mp -89.04 109.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 74.34 111.142 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.03 105.4 17.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.889 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.685 HD23 ' CD1' ' A' ' 654' ' ' ILE . 2.4 mm? -102.4 142.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 54.31 110.943 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 651' ' ' GLU . 35.9 p -147.77 144.07 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 71.51 111.16 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 63.23 110.869 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.857 0.361 . . . . 70.03 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -88.81 153.38 49.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 75.43 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.6 Cg_endo -69.72 152.47 69.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 51.1 112.389 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.684 ' HB2' HD23 ' A' ' 664' ' ' LEU . 66.8 mmm -120.57 131.52 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.54 110.803 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.92 170.49 9.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 51.04 110.852 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -60.55 -29.31 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.909 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -57.35 -63.15 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 75.31 110.935 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -67.13 -31.29 71.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.589 ' HE3' HD21 ' A' ' 664' ' ' LEU . 10.1 mtpt -64.49 -46.76 81.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.806 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -57.06 -30.21 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.804 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 617' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 7.4 tm0? -68.43 -36.01 78.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.897 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.79 -43.0 97.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.921 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -45.09 92.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 71.11 110.861 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.73 -55.31 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 73.32 110.902 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 621' ' ' ASP . . . . . 0.57 ' HB3' HG21 ' A' ' 671' ' ' VAL . 1.5 t0 -51.87 -60.95 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.851 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.5 -47.78 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.154 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.14 -36.08 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.21 110.893 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -76.05 -28.61 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.917 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.797 HD22 HG23 ' A' ' 671' ' ' VAL . 3.5 mp -60.96 159.79 24.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 70.31 110.917 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 164.43 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.615 2.21 . . . . 61.11 112.271 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.41 -55.51 19.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 53.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -50.08 -37.0 31.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 75.03 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -65.54 -40.34 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 71.42 110.906 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -67.29 -43.42 81.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.937 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.57 -43.81 36.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.736 . . . . 22.45 112.464 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.04 -46.9 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 54.52 110.844 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 629' ' ' LYS . 66.6 t -56.89 -55.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 63.01 111.116 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 1.002 HG22 HD23 ' B' ' 403' ' ' LEU . 21.8 t -52.07 -34.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 75.51 111.139 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 635' ' ' HIS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 638' ' ' GLN . 12.3 t60 -62.35 -33.07 74.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.84 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.3 mt -76.08 -33.23 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 71.45 111.197 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.702 HD11 HD13 ' A' ' 667' ' ' LEU . 57.0 mt -77.16 -44.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.161 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 638' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 635' ' ' HIS . 16.6 pt20 -72.26 -14.4 61.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 62.54 110.913 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 3.9 m -87.36 -31.38 20.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.834 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.33 -33.61 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.919 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.665 0.745 . . . . 63.53 111.006 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 CA--C 1.526 0.099 0 CA-C-O 120.757 0.232 . . . . 72.34 112.333 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 7.63 23.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.85 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' B' ' 404' ' ' THR . 7.1 tt0 -145.15 141.14 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.487 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.21 143.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.138 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 99.09 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.903 HD11 HD22 ' B' ' 403' ' ' LEU . 16.0 mt -89.9 109.07 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 71.35 111.149 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -116.08 89.26 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 70.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.605 ' CE2' HD12 ' B' ' 399' ' ' LEU . 4.0 m-30 -51.18 -28.07 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.792 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.36 -31.47 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 63.04 110.889 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.2 t -114.67 -20.85 10.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 62.32 111.169 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.713 HD23 ' CD1' ' A' ' 664' ' ' LEU . 5.2 tp -55.37 145.2 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 72.43 110.881 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 162.66 38.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 74.41 110.922 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 661' ' ' PRO . . . . . 0.407 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.2 Cg_endo -69.77 -34.78 13.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.601 2.2 . . . . 71.41 112.349 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -55.56 -43.81 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.824 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 7.1 m -78.31 -37.87 43.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.43 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.713 ' CD1' HD23 ' A' ' 659' ' ' LEU . 1.1 mp -53.23 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 44.2 110.871 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -61.71 -34.44 75.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.886 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.57 -38.36 31.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.866 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.702 HD13 HD11 ' A' ' 637' ' ' ILE . 1.3 mt -73.62 -47.6 38.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.13 110.891 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -52.68 -29.63 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 71.4 110.945 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -36.83 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.86 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -44.63 34.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 61.2 110.863 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.797 HG23 HD22 ' A' ' 625' ' ' LEU . 8.5 p -60.15 -32.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 63.32 111.08 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.5 m -75.71 -33.54 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.3 111.182 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.41 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.756 0.312 . . . . 70.33 111.11 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.677 ' HB3' HD22 ' A' ' 630' ' ' LEU . 5.8 m95 -76.18 152.27 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 64.5 110.895 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.23 167.68 13.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.776 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.626 HG13 HD12 ' B' ' 403' ' ' LEU . 85.7 t -150.88 146.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 70.5 111.156 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -147.1 110.31 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.949 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 176.94 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 70.14 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -140.21 -168.97 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.845 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -69.79 -27.67 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.906 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.421 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -47.12 163.87 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.722 . . . . 71.34 110.87 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -18.66 36.95 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 62.13 112.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.806 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.2 OUTLIER -173.43 58.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.94 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 25.9 ttmt -112.16 123.18 49.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.906 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.685 HD12 ' HB ' ' A' ' 654' ' ' ILE . 0.2 OUTLIER -128.28 118.29 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.15 111.129 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.16 106.37 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.874 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 1.002 HD23 HG22 ' A' ' 634' ' ' VAL . 3.0 mp -94.24 134.38 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.942 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 651' ' ' GLU . 20.7 p -146.65 148.09 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 63.22 111.116 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.877 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.932 0.396 . . . . 70.4 110.838 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -97.57 156.34 36.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 51.11 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.64 68.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 71.42 112.38 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.452 ' HB2' HD23 ' A' ' 664' ' ' LEU . 60.2 mmm -118.44 109.0 15.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.873 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.1 t -72.02 167.5 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.32 110.902 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 612' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 15.4 p90 -53.79 -27.98 32.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.913 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.76 -61.98 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 71.15 110.921 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.58 -32.06 72.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 75.45 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 612' ' ' TYR . 2.5 mtpt -62.81 -54.82 33.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.849 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.672 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.57 -31.24 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 71.11 110.889 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -65.1 -39.18 92.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.24 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.625 HD11 ' CA ' ' A' ' 668' ' ' GLU . 4.2 mm? -64.86 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 61.51 110.952 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -51.45 68.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 61.33 110.839 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.95 -53.17 13.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -50.64 -53.97 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 64.2 110.883 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.81 -27.73 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 63.11 111.14 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -87.87 -0.72 57.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -100.68 -29.61 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 63.01 110.869 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.827 HD22 ' HB3' ' A' ' 629' ' ' LYS . 1.5 pp -70.49 157.74 89.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 65.14 110.911 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 626' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 625' ' ' LEU . 53.4 Cg_endo -69.82 163.71 37.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 74.24 112.304 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.65 -45.19 47.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 63.14 112.55 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.54 -39.96 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 70.43 110.886 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.827 ' HB3' HD22 ' A' ' 625' ' ' LEU . 28.3 mmmt -67.74 -38.35 83.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.869 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.85 HD23 HG11 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -55.17 -60.64 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.887 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.7 -36.3 8.16 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.749 -0.738 . . . . 72.42 112.459 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.93 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 74.41 110.825 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.543 HG13 HD12 ' A' ' 667' ' ' LEU . 98.9 t -66.11 -57.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.176 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 1.015 HG12 HD23 ' B' ' 403' ' ' LEU . 9.0 m -48.6 -33.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 71.32 111.114 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.67 -42.16 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.824 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.6 mt -53.53 -51.53 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 60.11 111.089 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.442 HD11 ' HG ' ' A' ' 667' ' ' LEU . 1.5 mp -51.22 -64.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.144 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 638' ' ' GLN . . . . . 0.532 ' HB3' HD11 ' A' ' 652' ' ' ILE . 14.8 pt20 -55.43 -22.43 20.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 71.14 110.855 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.64 75.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.32 110.862 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -121.04 17.77 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.813 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.679 0.752 . . . . 63.14 110.899 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.803 0.251 . . . . 75.1 112.369 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 650' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -93.29 23.72 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.845 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -145.44 136.61 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 55.42 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.1 OUTLIER -141.79 141.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 63.42 111.124 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -124.23 98.43 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 62.11 110.832 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.738 ' CD1' HD22 ' B' ' 403' ' ' LEU . 2.2 mp -92.79 109.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.42 111.145 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -124.01 95.62 4.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 71.05 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.778 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.4 m-30 -53.68 -25.51 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.91 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -34.77 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.908 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -117.27 -22.66 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 75.14 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -55.2 160.44 2.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.926 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.41 ' HB2' ' HD2' ' A' ' 661' ' ' PRO . 0.0 OUTLIER -88.91 156.8 49.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 61.2 110.912 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 661' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 660' ' ' LYS . 53.5 Cg_endo -69.74 -30.81 21.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.617 2.211 . . . . 71.43 112.452 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -42.8 99.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 62.23 110.863 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.746 ' O ' HD22 ' A' ' 667' ' ' LEU . 7.8 m -73.45 -47.49 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 64.02 111.144 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.623 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.0 mp -46.2 -54.83 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.958 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.31 -32.83 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.0 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.9 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.746 HD22 ' O ' ' A' ' 663' ' ' THR . 0.3 OUTLIER -52.43 -47.58 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 64.43 110.908 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.625 ' CA ' HD11 ' A' ' 618' ' ' LEU . 30.2 tt0 -51.68 -38.13 53.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 53.52 110.833 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -62.6 -35.22 78.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.819 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.17 -52.86 6.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.935 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.728 HG23 HD23 ' A' ' 625' ' ' LEU . 2.9 p -56.52 -31.21 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 61.43 111.112 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 68.2 m -78.83 -32.32 46.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.1 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.913 -179.87 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.766 0.317 . . . . 75.21 111.165 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.74 ' HB3' HD22 ' A' ' 630' ' ' LEU . 8.8 m95 -92.46 160.51 15.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.55 110.884 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -120.43 172.04 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.736 HG23 HD11 ' B' ' 403' ' ' LEU . 9.1 p -143.83 147.17 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 64.31 111.146 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -165.84 123.86 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.13 172.3 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 71.23 110.825 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -133.02 -171.86 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.895 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.55 -27.32 69.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.1 m-80 -47.31 164.75 0.23 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 74.21 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -16.76 37.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 54.41 112.348 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.778 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -179.48 58.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 53.41 110.933 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 27.0 ttmt -107.14 112.37 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.877 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.635 HG22 ' CD1' ' B' ' 403' ' ' LEU . 1.7 mp -101.96 114.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 72.43 111.171 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 105.03 17.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 63.35 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 1.015 HD23 HG12 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -102.96 139.06 39.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.889 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.0 p -151.01 145.65 25.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 72.13 111.162 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.6 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.916 0.388 . . . . 73.45 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.09 155.8 40.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 62.41 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.07 47.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 32.42 112.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 52.3 mmm -119.1 107.0 12.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.03 110.88 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 12.5 m -59.36 155.67 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.53 -35.69 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 74.03 110.933 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.34 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.886 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -59.44 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 71.22 110.901 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 0.6 OUTLIER -60.37 -33.64 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.867 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.758 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -51.16 -40.55 58.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 75.12 110.838 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -73.31 -31.86 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 73.55 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 668' ' ' GLU . 4.4 mp -63.92 -46.47 84.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.953 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 619' ' ' SER . . . . . 0.564 ' OG ' HD11 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -57.1 -50.45 72.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.844 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -56.05 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.974 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 621' ' ' ASP . . . . . 0.441 ' OD2' HG22 ' A' ' 671' ' ' VAL . 38.2 t0 -50.57 -58.04 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 63.52 110.853 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.695 HD13 HG11 ' A' ' 633' ' ' VAL . 71.8 mt -57.78 -35.8 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.42 111.088 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -66.35 -41.45 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -28.61 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.02 110.939 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 622' ' ' ILE . 24.3 mt -57.49 159.74 8.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.12 110.928 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 164.26 35.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.763 2.309 . . . . 74.12 112.356 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 627' ' ' GLY . . . . . 0.501 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.21 -55.79 17.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 65.24 112.511 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.57 -38.49 31.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 75.14 110.89 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.7 mmtm -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.1 110.911 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.832 HD21 HD12 ' B' ' 403' ' ' LEU . 0.5 OUTLIER -70.52 -47.87 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.94 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.22 -43.66 9.6 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.76 -0.733 . . . . 51.45 112.524 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -67.06 -47.15 72.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 65.31 110.818 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.772 HG13 HD12 ' A' ' 667' ' ' LEU . 38.1 t -59.87 -59.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 74.14 111.123 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.596 HG22 ' HG ' ' B' ' 403' ' ' LEU . 11.0 t -51.9 -33.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.143 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 635' ' ' HIS . . . . . 0.47 ' HA ' ' HG2' ' A' ' 638' ' ' GLN . 33.4 t60 -63.87 -29.16 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 71.02 110.9 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.749 ' HB ' HD11 ' A' ' 667' ' ' LEU . 0.9 OUTLIER -75.78 -38.48 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 70.11 111.118 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.727 HD11 ' HG ' ' A' ' 667' ' ' LEU . 4.2 mp -73.36 -46.35 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 64.54 111.158 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 638' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 635' ' ' HIS . 4.7 pt20 -67.71 -19.55 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.917 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 52.2 m -95.56 -35.76 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.851 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -80.63 -32.8 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.31 110.872 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.689 0.756 . . . . 64.31 110.927 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.78 0.242 . . . . 64.2 112.356 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 650' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.94 20.58 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 73.31 110.854 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.456 ' HA ' HG22 ' B' ' 404' ' ' THR . 32.4 tt0 -147.83 136.52 21.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.882 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.576 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.1 142.38 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 70.25 111.133 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -117.0 98.17 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.897 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.837 HD12 HD23 ' B' ' 403' ' ' LEU . 14.4 mt -91.48 109.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 60.24 111.1 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -122.83 94.67 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 72.31 110.914 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.704 ' CG ' HD21 ' A' ' 664' ' ' LEU . 22.2 m-85 -57.39 -28.34 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 72.43 110.913 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -51.2 -31.79 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 70.44 110.872 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.4 t -118.29 -23.52 7.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.15 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.3 160.28 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 65.11 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.563 ' O ' HD12 ' A' ' 664' ' ' LEU . 28.4 mttt -88.34 158.24 49.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.525 0.679 . . . . 62.25 110.862 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.88 7.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.604 2.203 . . . . 70.35 112.335 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -51.56 -45.66 63.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.506 ' O ' HD22 ' A' ' 667' ' ' LEU . 25.0 m -73.88 -51.1 17.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 75.42 111.094 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.704 HD21 ' CG ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -47.06 -47.97 22.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.89 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 64.22 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -51.96 -50.03 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.772 HD12 HG13 ' A' ' 633' ' ' VAL . 1.9 mm? -66.58 -35.09 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.814 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.796 ' HB2' HD21 ' A' ' 618' ' ' LEU . 28.9 tt0 -60.21 -29.9 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 74.12 110.873 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -35.65 58.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.35 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.27 -40.6 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.1 110.938 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.441 HG22 ' OD2' ' A' ' 621' ' ' ASP . 7.3 p -66.17 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 34.5 111.14 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.2 m -78.39 -28.19 46.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 42.31 111.115 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 54.32 110.835 -179.823 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 389' ' ' THR . . . . . 0.501 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.876 0.369 . . . . 71.31 111.124 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.486 ' HB3' HD22 ' A' ' 630' ' ' LEU . 6.5 m95 -85.7 172.34 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.887 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.34 165.1 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.834 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.42 HG23 HD22 ' B' ' 403' ' ' LEU . 3.0 p -135.01 148.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 42.41 111.137 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -136.39 96.27 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.922 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 157.39 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 54.22 110.849 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.1 t -129.69 -178.29 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.41 110.887 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -57.39 -25.09 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -45.99 162.33 0.24 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.72 . . . . 74.34 110.92 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -20.79 34.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.744 2.296 . . . . 53.15 112.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.758 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -175.49 60.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.955 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -112.56 117.7 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.815 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -118.77 109.86 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.32 111.188 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -84.29 101.21 11.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 64.53 110.835 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.837 HD23 HD12 ' A' ' 654' ' ' ILE . 3.3 mm? -84.85 137.38 33.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 65.43 110.928 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 651' ' ' GLU . 19.0 p -147.92 143.9 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.43 111.173 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.891 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.85 0.357 . . . . 70.42 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -90.65 154.67 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 54.35 110.813 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 159.95 51.46 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.663 2.242 . . . . 50.24 112.294 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.683 ' HB3' HD22 ' A' ' 664' ' ' LEU . 23.7 mmm -141.98 128.65 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.906 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.77 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 52.33 110.866 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -50.93 -35.35 32.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.911 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.28 -33.31 58.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.32 110.903 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -62.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.878 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.745 ' HG2' HD21 ' A' ' 664' ' ' LEU . 25.6 mmmt -61.92 -28.89 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.21 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.927 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -73.04 -33.9 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.926 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 668' ' ' GLU . 0.8 OUTLIER -61.34 -38.13 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.915 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -45.61 80.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 61.44 110.872 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -54.93 40.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 75.15 110.893 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -51.89 -53.79 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.875 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.94 HD13 HG11 ' A' ' 633' ' ' VAL . 59.8 mt -62.03 -37.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 62.43 111.129 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -64.69 -41.28 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 73.32 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -28.39 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.907 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.631 HD13 ' HE3' ' A' ' 629' ' ' LYS . 24.3 mt -66.84 160.09 71.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.696 0.76 . . . . 73.23 110.851 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 164.42 34.63 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.665 2.244 . . . . 54.25 112.358 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.67 -39.54 38.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 62.01 112.482 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -49.73 -38.79 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 74.13 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.634 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.1 OUTLIER -72.48 -45.67 58.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 64.44 110.866 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.775 HD23 HG11 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -58.57 -55.57 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 72.42 110.89 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.37 -40.65 11.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 71.53 112.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -76.62 -45.88 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 65.14 110.837 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.94 HG11 HD13 ' A' ' 622' ' ' ILE . 90.4 t -64.42 -63.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.13 111.111 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.775 HG11 HD23 ' A' ' 630' ' ' LEU . 10.9 m -50.31 -29.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.43 111.13 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -64.99 -35.11 80.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 65.44 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.71 -46.26 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 654' ' ' ILE . 2.4 mp -50.81 -61.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.167 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 638' ' ' GLN . . . . . 0.434 ' HB3' HD11 ' A' ' 652' ' ' ILE . 11.3 pt20 -51.48 -29.45 16.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 51.22 110.953 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 t -64.52 -33.04 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.24 110.84 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -120.25 19.23 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 75.01 110.905 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.783 0.243 . . . . 73.33 112.378 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.6 1.71 32.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 61.25 110.909 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.415 ' HG2' HG22 ' B' ' 404' ' ' THR . 0.9 OUTLIER -142.83 139.91 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.91 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.434 HD11 ' HB3' ' A' ' 638' ' ' GLN . 1.1 tt -142.05 144.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 73.01 111.129 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -119.94 96.7 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 70.53 110.933 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.749 ' CG2' HD11 ' A' ' 659' ' ' LEU . 8.5 mt -85.97 112.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 62.51 111.084 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.53 114.93 17.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.41 110.839 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.574 ' HA ' HD12 ' A' ' 659' ' ' LEU . 0.1 OUTLIER -55.03 -31.34 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.941 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.16 -17.82 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 72.01 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.0 p -118.68 -26.85 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.125 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.749 HD11 ' CG2' ' A' ' 654' ' ' ILE . 13.6 mt -58.99 135.67 57.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.02 110.936 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 165.24 25.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.536 0.684 . . . . 73.2 110.91 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.28 33.84 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.677 2.251 . . . . 73.31 112.331 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.67 -44.62 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 64.52 110.849 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.6 m -58.48 -55.41 35.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.193 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.745 HD21 ' HG2' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -50.73 -49.53 57.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 70.31 110.898 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -31.71 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.863 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -76.0 -38.86 56.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.891 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.554 HD13 HD11 ' A' ' 637' ' ' ILE . 4.9 mt -65.12 -59.95 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 72.21 110.941 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 618' ' ' LEU . 0.2 OUTLIER -52.64 -34.32 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 62.52 110.896 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -62.77 -33.82 75.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 73.21 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.73 -52.93 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.899 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.1 p -58.06 -31.22 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 74.32 111.173 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 89.5 m -79.81 -29.72 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 64.43 111.129 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 60.34 110.903 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.727 0.299 . . . . 64.24 111.114 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.513 ' HB3' HD22 ' A' ' 630' ' ' LEU . 10.9 m95 -93.13 155.61 17.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.927 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -125.75 160.47 29.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.482 HG23 ' CG2' ' B' ' 401' ' ' ILE . 7.2 p -129.3 126.55 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.177 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -138.72 97.11 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 65.32 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 175.77 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.928 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.9 t -136.07 -177.54 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.853 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -22.79 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.927 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.04 164.02 0.21 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 72.02 110.934 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.48 37.53 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 74.04 112.324 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.429 ' HG ' ' HB2' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -177.33 58.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.889 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -108.04 129.25 55.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.901 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.482 ' CG2' HG23 ' B' ' 392' ' ' VAL . 1.0 OUTLIER -123.6 116.4 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.53 111.171 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.84 98.34 11.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.895 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.585 HD23 ' CD1' ' A' ' 654' ' ' ILE . 1.6 mm? -97.95 135.12 40.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.959 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 651' ' ' GLU . 12.1 p -142.49 145.56 33.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.108 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.934 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.867 0.365 . . . . 61.24 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -97.59 153.48 38.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 73.41 110.93 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.09 47.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.26 . . . . 55.32 112.391 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.413 ' HB2' HD23 ' A' ' 664' ' ' LEU . 41.5 mmm -127.83 107.27 9.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 65.15 110.896 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.6 169.85 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 70.1 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.47 -26.74 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.88 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.9 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 55.13 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.45 -23.92 67.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 63.22 110.895 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.404 ' HE3' HD23 ' A' ' 664' ' ' LEU . 5.8 mmtt -74.36 -49.22 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 53.2 110.867 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -32.05 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.858 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -74.93 -48.03 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.955 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 619' ' ' SER . 0.0 OUTLIER -57.35 -39.76 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.2 110.98 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 619' ' ' SER . . . . . 0.636 ' N ' HD23 ' A' ' 618' ' ' LEU . 0.5 OUTLIER -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 41.04 110.882 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.55 -50.77 23.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 64.31 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.62 -52.11 50.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 62.24 110.878 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.85 HD13 HG11 ' A' ' 633' ' ' VAL . 63.2 mt -67.41 -33.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.156 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 623' ' ' ASN . . . . . 0.524 ' OD1' HG11 ' B' ' 392' ' ' VAL . 3.8 t30 -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.931 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -73.14 -28.64 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.895 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.655 HD13 ' CD ' ' A' ' 629' ' ' LYS . 24.4 mt -61.97 159.96 32.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 74.22 110.947 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 164.61 33.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 44.34 112.414 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.97 -40.56 43.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 62.52 112.488 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.5 -39.02 32.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 73.51 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.4 mmpt? -71.36 -38.08 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.968 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.85 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -60.01 -65.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.878 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.86 -35.42 3.27 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.76 -0.733 . . . . 75.55 112.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -73.75 -50.78 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 72.32 110.914 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.85 HG11 HD13 ' A' ' 622' ' ' ILE . 40.1 t -68.49 -58.76 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.53 111.133 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.85 HG11 HD23 ' A' ' 630' ' ' LEU . 15.9 m -46.97 -32.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 54.31 111.079 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -67.46 -43.05 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.21 110.829 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.84 -50.71 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 75.12 111.116 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 654' ' ' ILE . 4.0 mp -50.95 -66.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 44.01 111.135 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 638' ' ' GLN . . . . . 0.6 ' HB3' HD11 ' A' ' 652' ' ' ILE . 16.9 pt20 -52.33 -26.44 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 55.11 110.837 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -32.4 74.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 63.24 110.884 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.28 17.12 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.852 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 75.11 110.878 -179.891 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.785 0.244 . . . . 73.42 112.335 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.48 -0.96 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.825 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.685 ' HA ' HG22 ' B' ' 404' ' ' THR . 2.2 tm-20 -145.03 115.84 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 70.52 110.895 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.6 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.2 OUTLIER -129.93 141.63 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 73.23 111.118 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -121.81 97.65 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.923 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 637' ' ' ILE . 11.0 mm -85.57 110.21 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 70.32 111.184 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -128.06 103.29 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.618 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.6 m-30 -61.58 -27.42 68.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 62.31 110.83 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.38 -29.98 17.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 73.23 110.882 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -117.35 -26.58 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 71.31 111.095 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.51 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -57.25 154.06 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.22 110.921 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.51 ' H ' HD13 ' A' ' 659' ' ' LEU . 5.7 mtmt -88.41 161.02 43.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.609 0.719 . . . . 75.12 110.89 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -35.22 13.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 75.33 112.304 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.19 -49.14 72.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.34 110.804 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' ' 637' ' ' ILE . 25.6 m -68.92 -47.95 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 64.21 111.139 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.5 mp -50.76 -51.05 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.89 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -34.94 79.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 71.51 110.837 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -41.94 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 65.33 110.891 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.623 ' CD1' HD11 ' A' ' 637' ' ' ILE . 5.8 mt -64.07 -49.68 71.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 65.23 110.907 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 671' ' ' VAL . 15.1 tt0 -53.73 -30.94 46.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.809 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.83 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.878 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -80.03 -36.15 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 74.11 110.905 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.496 HG23 HD11 ' A' ' 625' ' ' LEU . 5.0 p -78.18 -36.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.41 111.113 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 10.0 t -66.2 -32.62 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.86 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.823 0.344 . . . . 75.33 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 630' ' ' LEU . 13.4 m95 -84.32 165.6 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.13 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -143.68 171.16 14.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.867 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.554 HG23 HG22 ' B' ' 401' ' ' ILE . 10.9 p -134.22 148.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 64.15 111.15 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -164.23 94.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.864 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 t -135.16 -169.53 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 51.41 110.83 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -66.83 -27.65 67.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.966 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -46.94 163.63 0.24 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 62.24 110.883 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -20.55 34.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 73.04 112.396 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.618 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -172.57 58.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.912 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 31.1 ttmt -110.48 120.68 43.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.928 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.554 HG22 HG23 ' B' ' 392' ' ' VAL . 0.6 OUTLIER -108.11 116.12 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 70.22 111.102 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.21 99.45 11.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.855 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.513 HD23 HG13 ' A' ' 654' ' ' ILE . 2.2 mm? -99.17 143.24 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.43 110.908 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.685 HG22 ' HA ' ' A' ' 651' ' ' GLU . 81.8 p -145.94 142.16 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.23 111.145 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.438 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 3.7 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.873 0.368 . . . . 63.35 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -92.07 153.54 43.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 71.35 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' PRO . . . . . 0.405 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.8 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 75.33 112.33 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.713 ' HB2' HD23 ' A' ' 664' ' ' LEU . 4.8 mmm -125.9 130.88 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.871 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.67 162.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 60.52 110.933 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -57.94 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.998 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.94 -62.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 75.33 110.929 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.28 -33.65 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 64.23 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.436 ' HD3' HD21 ' A' ' 664' ' ' LEU . 18.7 mtmt -63.76 -50.25 69.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.858 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.778 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -53.15 -29.19 29.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.899 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -71.96 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.935 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' A' ' 668' ' ' GLU . 3.4 mp -68.32 -46.56 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 63.13 110.947 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.8 t -55.61 -44.1 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.84 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.15 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.958 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 621' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 625' ' ' LEU . 43.1 t0 -50.13 -61.79 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.863 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 67.2 mt -50.66 -38.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.131 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -65.98 -34.24 77.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 63.51 110.881 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -70.3 -29.23 65.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.911 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 626' ' ' PRO . 4.4 mm? -68.21 160.62 74.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.618 0.723 . . . . 65.0 110.949 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 626' ' ' PRO . . . . . 0.427 ' HD2' HD12 ' A' ' 625' ' ' LEU . 53.2 Cg_endo -69.79 164.48 34.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 44.11 112.326 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.06 48.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.712 . . . . 34.14 112.479 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -49.59 -39.7 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 63.13 110.88 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.497 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -68.76 -42.05 78.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 63.4 110.915 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.765 HD21 ' HG ' ' B' ' 403' ' ' LEU . 2.4 tt -66.86 -39.87 87.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 64.11 110.926 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -52.59 -40.18 54.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 61.43 112.504 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -71.27 -36.66 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 73.53 110.929 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 629' ' ' LYS . 59.8 t -62.83 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.147 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.715 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 3.2 p -50.97 -34.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.147 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -62.8 -33.7 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.91 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.87 -53.84 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 52.33 111.162 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.536 ' H ' HD12 ' A' ' 637' ' ' ILE . 4.4 mp -55.18 -51.55 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 61.4 111.151 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -66.99 -13.94 62.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.947 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -88.92 -48.46 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.84 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.45 -30.05 42.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.823 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 63.02 110.928 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.724 0.218 . . . . 60.44 112.324 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -3.23 39.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 74.13 110.911 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.407 ' HA ' HG22 ' B' ' 404' ' ' THR . 32.4 tt0 -138.66 134.44 33.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.579 HG21 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.77 144.13 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 42.21 111.091 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.0 99.04 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.828 HD11 HD22 ' B' ' 403' ' ' LEU . 9.0 mt -95.34 108.49 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 52.53 111.146 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -125.94 96.99 4.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 64.41 110.888 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.757 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.7 m-30 -56.16 -22.98 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 63.52 110.839 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -56.53 -32.54 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -119.05 -24.7 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 65.23 111.191 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 158.84 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.958 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -88.94 162.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.522 0.677 . . . . 73.13 110.963 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 661' ' ' PRO . . . . . 0.405 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.7 Cg_endo -69.74 -31.31 20.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.242 . . . . 54.23 112.332 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -60.04 -49.2 78.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 14.2 m -71.19 -35.7 71.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.35 111.09 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.713 HD23 ' HB2' ' A' ' 610' ' ' MET . 2.0 mp -56.84 -60.66 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.55 110.895 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -58.47 -34.21 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.911 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.61 -44.94 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.879 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.509 ' CD1' HD11 ' A' ' 637' ' ' ILE . 3.4 mt -66.63 -41.78 87.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.968 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.621 ' HB2' HD21 ' A' ' 618' ' ' LEU . 66.8 tt0 -64.96 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.912 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.38 -28.77 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 73.05 110.84 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.75 -41.5 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.89 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.7 p -74.41 -35.25 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.15 111.102 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 5.5 t -68.69 -31.75 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.145 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.889 -179.824 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.655 0.264 . . . . 75.22 111.17 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.715 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 6.1 m95 -70.18 156.45 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 72.41 110.909 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -135.05 173.0 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.86 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 630' ' ' LEU . 97.3 t -150.71 141.33 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 65.33 111.059 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -135.89 110.67 8.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 73.13 110.896 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.6 167.29 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.7 t -133.79 -174.72 3.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 61.13 110.873 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.9 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 63.44 110.912 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.442 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.3 m120 -46.0 163.21 0.23 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.674 0.75 . . . . 60.1 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.724 2.283 . . . . 50.11 112.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.778 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -179.43 59.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 62.31 110.915 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 23.0 ttmt -112.17 113.15 25.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.818 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.412 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -112.5 115.19 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.148 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 102.63 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.828 HD22 HD11 ' A' ' 654' ' ' ILE . 4.4 mp -85.65 136.77 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.932 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 651' ' ' GLU . 21.8 p -147.17 144.8 29.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.124 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.426 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 27.5 mtp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.838 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.859 0.361 . . . . 70.14 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 152.65 38.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 55.03 110.842 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 609' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 55.0 Cg_endo -69.67 147.94 64.56 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.735 2.29 . . . . 75.2 112.415 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 22.9 mmm -112.32 128.98 56.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.2 m -97.41 178.89 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.833 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -70.46 -26.07 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 72.11 110.909 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -55.97 28.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 75.32 110.867 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -26.82 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -70.83 -59.63 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 65.22 110.897 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.617 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.1 OUTLIER -47.56 -33.74 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 63.11 110.945 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -71.93 -44.11 64.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 65.04 110.909 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -67.62 -45.81 74.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.963 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 619' ' ' SER . . . . . 0.647 ' N ' HD23 ' A' ' 618' ' ' LEU . 1.5 p -50.68 -41.72 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.5 110.854 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.29 -47.65 15.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 621' ' ' ASP . . . . . 0.475 ' O ' HD13 ' A' ' 625' ' ' LEU . 14.8 t0 -51.4 -53.51 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.93 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.799 HG22 HD12 ' A' ' 630' ' ' LEU . 83.5 mt -64.42 -35.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.03 111.122 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -63.58 -41.68 98.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.55 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -71.83 -28.49 63.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.87 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 621' ' ' ASP . 3.2 mp -67.49 162.34 57.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.612 0.72 . . . . 64.21 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 163.08 39.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.782 2.321 . . . . 75.15 112.371 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 627' ' ' GLY . . . . . 0.577 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.39 -43.24 51.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 65.33 112.547 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.31 -37.92 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 75.51 110.844 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.6 OUTLIER -71.44 -44.24 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.53 110.895 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.801 HD23 HG11 ' A' ' 634' ' ' VAL . 0.2 OUTLIER -65.49 -61.08 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.965 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -40.55 -38.09 1.4 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.773 -0.727 . . . . 64.32 112.512 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -50.11 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 72.32 110.91 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.598 HG11 HD13 ' A' ' 622' ' ' ILE . 58.2 t -66.85 -55.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.45 111.15 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.801 HG11 HD23 ' A' ' 630' ' ' LEU . 9.3 m -48.51 -30.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 65.33 111.037 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -70.99 -39.3 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.778 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.473 HD11 ' CD2' ' A' ' 670' ' ' TYR . 4.2 mt -56.08 -36.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 64.34 111.134 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.702 HD11 HD13 ' A' ' 667' ' ' LEU . 3.9 mp -66.54 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.127 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 638' ' ' GLN . . . . . 0.785 ' HB3' HD11 ' A' ' 652' ' ' ILE . 6.7 pt20 -51.41 -24.48 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 70.21 110.873 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 p -69.9 -39.08 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 65.25 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.78 17.67 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 121.687 0.756 . . . . 73.31 110.888 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.774 0.239 . . . . 55.24 112.337 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -5.5 30.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 72.34 110.825 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -128.33 129.77 46.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 63.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.785 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.3 OUTLIER -142.11 144.46 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 64.21 111.11 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.15 99.72 6.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 70.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 1.127 HD13 HD23 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -90.86 118.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 71.15 111.116 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.03 98.37 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 53.32 110.915 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.715 ' CE2' HD12 ' B' ' 399' ' ' LEU . 11.2 m-30 -58.19 -27.77 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.902 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.29 -30.75 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -118.93 -25.26 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 72.3 111.199 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.408 HD23 ' HG ' ' A' ' 664' ' ' LEU . 1.7 tp -55.95 154.14 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 63.53 110.894 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -88.64 160.15 45.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 72.43 110.84 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 661' ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.2 Cg_endo -69.74 -36.9 10.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 64.41 112.311 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 30.3 t -51.95 -49.65 62.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.1 110.852 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.48 HG21 ' HA ' ' A' ' 637' ' ' ILE . 97.4 m -74.92 -47.53 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 71.22 111.165 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.639 HD21 ' CG ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -51.64 -57.25 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.901 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -58.04 -35.93 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.14 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.44 66.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.931 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.702 HD13 HD11 ' A' ' 637' ' ' ILE . 4.8 mt -69.28 -53.75 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 52.41 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 671' ' ' VAL . 0.9 OUTLIER -51.94 -30.37 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.4 110.903 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -35.7 66.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 72.2 110.835 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 670' ' ' TYR . . . . . 0.473 ' CD2' HD11 ' A' ' 636' ' ' ILE . 1.4 m-85 -79.26 -50.03 11.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 64.12 110.887 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 668' ' ' GLU . 9.9 p -52.62 -32.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 72.33 111.12 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.9 m -72.47 -44.83 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.167 -0.47 . . . . 64.02 111.203 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.857 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 389' ' ' THR . . . . . 0.577 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.765 0.317 . . . . 64.42 111.093 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.515 ' HB3' HD22 ' A' ' 630' ' ' LEU . 12.4 m95 -92.3 155.37 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 75.4 110.9 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -127.41 -179.96 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.33 110.849 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' B' ' 401' ' ' ILE . 7.1 p -146.96 130.82 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 65.54 111.055 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -137.4 110.94 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 71.24 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.6 167.71 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 70.32 110.804 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.6 t -135.6 -171.72 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 61.31 110.851 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -30.33 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 73.11 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -47.49 164.27 0.25 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 73.42 110.881 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -15.8 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.267 . . . . 73.23 112.327 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.715 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -179.34 58.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 75.2 110.831 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 30.0 ttmt -110.64 102.12 10.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 73.41 110.889 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.837 HD12 HD21 ' B' ' 403' ' ' LEU . 1.1 pt -97.08 114.4 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.02 111.079 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 107.24 15.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.866 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 1.127 HD23 HD13 ' A' ' 654' ' ' ILE . 1.0 OUTLIER -97.25 138.71 34.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 72.35 110.932 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 29.0 p -146.97 143.13 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 51.13 111.143 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.403 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 31.6 mtp85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.843 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.882 0.373 . . . . 64.31 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -98.94 153.15 37.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 63.03 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.4 Cg_endo -69.76 161.29 46.51 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.624 2.216 . . . . 63.55 112.352 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.575 ' HB2' HD22 ' A' ' 664' ' ' LEU . 7.2 mmm -126.7 107.13 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.896 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 164.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 53.32 110.818 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.36 -35.02 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 72.42 110.994 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.81 -52.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.917 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -62.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 72.45 110.887 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 0.4 OUTLIER -56.73 -39.41 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 65.53 110.928 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.796 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.88 -39.2 58.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.856 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -67.66 -30.14 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' A' ' 668' ' ' GLU . 73.7 mt -63.74 -50.23 69.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.914 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 62.8 p -53.16 -44.96 68.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.35 110.817 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.64 -60.68 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 51.32 110.879 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -48.67 -61.35 2.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.832 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.865 HG22 HD12 ' A' ' 630' ' ' LEU . 99.0 mt -49.76 -37.2 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.088 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.18 -35.16 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.862 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -69.3 -29.28 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 626' ' ' PRO . 4.6 mm? -75.04 160.64 80.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.625 0.726 . . . . 54.44 110.87 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 626' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' A' ' 625' ' ' LEU . 54.0 Cg_endo -69.73 164.21 35.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 71.04 112.326 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.37 -41.88 48.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 53.44 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.03 -38.48 37.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 74.35 110.818 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.445 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -70.77 -50.0 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 64.12 110.863 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.865 HD12 HG22 ' A' ' 622' ' ' ILE . 0.4 OUTLIER -58.29 -46.47 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 74.3 110.849 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.84 -42.26 37.46 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 71.14 112.425 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -69.12 -35.11 76.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 64.33 110.925 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.452 ' O ' HD12 ' A' ' 637' ' ' ILE . 73.9 t -65.17 -58.26 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 71.11 111.107 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.695 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 2.9 p -50.17 -29.94 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 74.31 111.142 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.73 -38.66 87.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.835 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.84 -56.73 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 72.03 111.138 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.758 HD11 HD13 ' A' ' 667' ' ' LEU . 4.3 mp -50.4 -57.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 64.32 111.127 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -57.81 -20.37 35.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 74.03 110.8 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.97 -31.51 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.88 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.26 16.45 22.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 74.45 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.706 0.765 . . . . 74.22 110.896 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.787 0.244 . . . . 74.51 112.355 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 650' ' ' ASP . . . . . 0.433 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.83 21.3 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.896 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -148.57 136.73 21.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.624 HG21 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.26 143.92 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 61.52 111.177 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -116.98 97.34 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.915 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.852 HD11 HD22 ' B' ' 403' ' ' LEU . 24.5 mt -89.17 108.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.122 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 655' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -121.72 94.13 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 64.15 110.85 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.537 ' CE2' HD12 ' B' ' 399' ' ' LEU . 22.4 m-85 -57.98 -26.36 62.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.853 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.6 -31.44 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.803 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 655' ' ' ASP . 2.9 t -117.96 -25.35 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 70.42 111.113 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.515 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -55.76 160.38 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 74.43 110.916 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.515 ' H ' HD13 ' A' ' 659' ' ' LEU . 0.0 OUTLIER -88.01 160.75 45.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 73.0 110.906 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 661' ' ' PRO . . . . . 0.407 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.4 Cg_endo -69.68 -37.1 9.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 73.03 112.447 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -47.56 73.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 62.4 110.829 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.417 ' HB ' HD12 ' A' ' 659' ' ' LEU . 5.0 m -70.8 -39.04 73.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 61.11 111.133 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.575 HD22 ' HB2' ' A' ' 610' ' ' MET . 0.2 OUTLIER -54.56 -60.66 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 43.1 110.911 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -32.97 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -36.37 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 75.05 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.758 HD13 HD11 ' A' ' 637' ' ' ILE . 1.4 mt -74.73 -45.36 44.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.773 ' HB2' HD21 ' A' ' 618' ' ' LEU . 27.0 tt0 -58.35 -29.65 66.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -34.9 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -77.92 -44.92 25.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 51.35 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.11 -33.27 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 50.11 111.16 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.2 m -74.83 -34.57 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 71.15 111.189 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 44.23 110.854 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.8 0.333 . . . . 62.14 111.108 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.695 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 5.7 m95 -72.67 154.63 40.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 74.03 110.944 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -131.41 173.6 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 61.32 110.866 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.528 HG13 HD12 ' B' ' 403' ' ' LEU . 91.4 t -150.64 144.36 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 74.05 111.144 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.66 108.9 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.862 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.4 168.71 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 70.14 110.829 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 2.6 t -135.1 -167.67 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 62.33 110.854 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -70.31 -28.21 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -47.09 164.2 0.23 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 60.41 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.648 2.232 . . . . 43.21 112.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -175.17 59.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 74.01 110.91 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.01 113.68 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.9 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.527 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -114.4 114.04 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 72.32 111.194 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 103.92 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 70.22 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.852 HD22 HD11 ' A' ' 654' ' ' ILE . 4.7 mp -87.11 136.77 32.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 62.12 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 17.1 p -146.63 145.65 30.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.41 111.174 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.433 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 73.55 110.928 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 72.41 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 155.19 37.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 70.11 110.884 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 161.22 46.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.22 112.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.688 ' HB2' HD23 ' A' ' 664' ' ' LEU . 72.7 mmm -133.22 117.3 17.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 70.22 110.906 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.87 175.12 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 64.42 110.874 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -52.76 -28.81 23.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 64.24 110.938 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -60.72 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 64.42 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 65.03 110.987 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.764 ' HA ' HD23 ' A' ' 618' ' ' LEU . 2.0 mtpt -73.69 -57.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 71.32 110.887 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.542 ' CB ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -50.62 -28.8 9.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.45 110.869 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -72.75 -40.91 65.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.874 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 615' ' ' LYS . 0.5 OUTLIER -68.08 -31.7 71.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.945 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 619' ' ' SER . . . . . 0.485 ' OG ' HD11 ' B' ' 399' ' ' LEU . 50.5 p -72.05 -37.39 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.832 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.42 -50.34 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 70.42 110.954 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 621' ' ' ASP . . . . . 0.73 ' HB3' HG21 ' A' ' 671' ' ' VAL . 0.5 OUTLIER -50.47 -60.57 2.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.839 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.797 HG22 HD12 ' A' ' 630' ' ' LEU . 42.3 mt -54.33 -36.96 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.08 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.08 -41.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 52.02 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -72.1 -28.81 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 71.42 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.754 ' CD2' HG23 ' A' ' 671' ' ' VAL . 3.2 mp -60.93 161.53 15.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 72.01 110.912 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.1 35.81 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.744 2.296 . . . . 72.34 112.375 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.21 -54.05 25.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 63.24 112.534 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.69 -38.44 32.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.4 . . . . 71.54 110.893 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -57.76 6.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.857 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.869 HD11 HG21 ' B' ' 392' ' ' VAL . 0.6 OUTLIER -55.48 -40.43 71.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 72.44 110.849 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.98 -38.96 47.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 61.32 112.417 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -39.53 78.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 74.43 110.803 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.728 HG11 HD13 ' A' ' 622' ' ' ILE . 58.7 t -62.28 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.31 111.153 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.749 ' HB ' HD23 ' B' ' 403' ' ' LEU . 3.4 p -51.35 -31.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.138 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.98 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.791 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.47 -58.97 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 70.35 111.089 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.735 HD11 ' CD1' ' A' ' 667' ' ' LEU . 3.6 mp -59.2 -26.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.44 111.157 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -63.45 -39.32 94.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.934 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -24.87 16.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.864 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -78.53 -30.85 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 73.24 110.927 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.176 0 CA-C-O 120.833 0.264 . . . . 75.54 112.359 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 650' ' ' ASP . . . . . 0.445 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.48 21.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.806 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' B' ' 404' ' ' THR . 1.7 tt0 -148.05 140.31 24.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 63.44 110.863 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.516 HG22 ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.51 144.28 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 50.34 111.142 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -114.97 99.04 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 71.03 110.907 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.819 HD11 HD22 ' B' ' 403' ' ' LEU . 17.5 mt -97.45 108.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 43.21 111.125 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 655' ' ' ASP . . . . . 0.426 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -119.2 101.15 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.899 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.703 ' CE2' HD12 ' B' ' 399' ' ' LEU . 13.4 m-30 -61.32 -17.65 54.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 62.31 110.827 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.51 -30.83 71.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.878 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 655' ' ' ASP . 15.3 t -116.97 -25.12 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.088 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.439 ' HB3' HD13 ' A' ' 664' ' ' LEU . 0.1 OUTLIER -55.56 160.17 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 62.21 110.904 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 162.3 40.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 73.41 110.856 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -28.32 25.04 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.641 2.227 . . . . 62.12 112.33 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -55.08 20.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 50.43 110.871 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 28.2 m -61.5 -44.17 97.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.51 111.145 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.688 HD23 ' HB2' ' A' ' 610' ' ' MET . 1.4 mp -51.29 -60.55 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 52.25 110.896 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.48 -34.06 73.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -38.77 48.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.848 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.735 ' CD1' HD11 ' A' ' 637' ' ' ILE . 1.6 mt -74.97 -39.37 61.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.912 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 671' ' ' VAL . 6.7 tm-20 -68.76 -22.74 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.907 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.39 -34.91 47.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.01 110.817 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.92 -36.55 56.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.896 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.754 HG23 ' CD2' ' A' ' 625' ' ' LEU . 9.1 p -71.12 -32.77 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.135 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.6 m -73.04 -32.09 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 52.22 111.125 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.875 -179.855 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 64.03 111.118 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.742 ' CH2' HG21 ' A' ' 634' ' ' VAL . 6.8 m95 -73.34 156.01 38.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.873 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -134.47 168.21 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.844 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.869 HG21 HD11 ' A' ' 630' ' ' LEU . 84.6 t -150.86 146.57 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 54.42 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.43 118.81 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 72.12 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.93 150.1 24.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 63.35 110.871 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.4 m -172.12 165.48 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 71.14 110.847 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -77.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 65.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.428 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -57.64 163.65 3.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.671 0.748 . . . . 63.51 110.822 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -20.08 34.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.633 2.222 . . . . 65.54 112.321 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.703 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -172.82 57.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.868 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.428 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 16.2 ttmt -109.87 103.95 12.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.908 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.476 HD12 HD11 ' B' ' 403' ' ' LEU . 1.2 pt -94.1 121.32 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 70.13 111.177 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -92.02 104.82 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 75.05 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.819 HD22 HD11 ' A' ' 654' ' ' ILE . 4.8 mp -87.61 134.8 33.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 71.52 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 651' ' ' GLU . 28.3 p -149.43 143.01 25.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 70.52 111.13 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 24.4 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 62.45 110.823 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 70.22 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -96.58 153.42 38.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 62.33 110.837 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.74 2.293 . . . . 53.11 112.316 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.55 ' HB2' HD23 ' A' ' 664' ' ' LEU . 41.5 mmm -118.24 131.49 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 71.42 110.868 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.19 145.98 35.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 62.32 110.84 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -58.54 -30.53 67.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 64.23 110.871 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.69 -62.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 54.15 110.848 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -43.86 92.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 74.54 110.856 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.593 ' HA ' HD23 ' A' ' 618' ' ' LEU . 25.4 mmmt -55.2 -46.66 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.86 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.623 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -52.14 -30.92 28.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.897 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 617' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 40.5 tp60 -68.47 -35.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 615' ' ' LYS . 3.4 mm? -65.84 -44.84 84.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 64.44 110.902 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 4.5 m -51.88 -45.64 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 55.12 110.846 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.45 -52.35 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 70.01 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -50.47 -61.13 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 52.34 110.926 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.812 HG22 HD12 ' A' ' 630' ' ' LEU . 49.7 mt -55.79 -35.6 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.114 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.9 -41.3 91.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -28.57 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.833 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.454 HD23 ' CG ' ' A' ' 629' ' ' LYS . 6.3 mp -71.18 162.02 74.96 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 65.14 110.926 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 163.67 37.31 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.742 2.295 . . . . 65.32 112.388 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 627' ' ' GLY . . . . . 0.478 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.97 -38.97 47.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 42.05 112.517 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.79 -39.08 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 72.03 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.577 ' O ' HG23 ' A' ' 633' ' ' VAL . 2.4 mmpm? -71.28 -44.87 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.914 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.812 HD12 HG22 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -62.94 -56.88 13.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.95 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.09 -34.83 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 63.55 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -74.74 -49.97 19.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 71.05 110.864 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 629' ' ' LYS . 21.7 t -68.02 -58.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 72.14 111.136 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.654 HG11 HD23 ' A' ' 630' ' ' LEU . 14.9 m -49.72 -31.41 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 74.45 111.116 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -67.72 -36.76 81.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.82 -32.16 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 64.11 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 667' ' ' LEU . 3.3 mp -69.25 -47.03 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 71.55 111.095 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.21 -14.79 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 70.21 110.973 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.1 t -96.09 -35.1 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 62.32 110.878 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -88.21 -33.35 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 65.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 52.25 110.876 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.789 0.245 . . . . 64.13 112.339 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -5.05 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.957 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -135.58 132.49 37.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 70.34 110.862 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -142.15 143.98 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 54.44 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.94 97.55 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 63.24 110.879 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.814 HD12 HD23 ' B' ' 403' ' ' LEU . 42.0 mt -90.61 108.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.16 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 655' ' ' ASP . . . . . 0.465 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -124.2 102.93 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 65.3 110.852 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.629 ' CE2' HD12 ' B' ' 399' ' ' LEU . 19.4 m-85 -62.27 -17.17 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.818 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -67.31 -34.09 76.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.465 HG22 ' HB2' ' A' ' 655' ' ' ASP . 11.8 t -108.64 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 72.03 111.12 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 160.73 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 72.43 110.907 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.28 163.03 38.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 61.02 110.923 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -27.67 26.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 65.45 112.37 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -52.67 55.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.894 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.2 m -64.99 -44.66 88.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 72.03 111.17 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 610' ' ' MET . 2.5 mp -46.21 -58.11 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.888 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -66.1 -43.63 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 64.03 110.856 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -50.42 57.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.859 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.548 ' CD2' HD11 ' A' ' 637' ' ' ILE . 0.2 OUTLIER -50.89 -50.98 56.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 61.22 110.875 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.514 ' HA ' HG12 ' A' ' 671' ' ' VAL . 0.0 OUTLIER -61.29 -34.34 75.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.851 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -33.11 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.807 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -80.96 -61.07 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 70.12 110.942 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 668' ' ' GLU . 3.9 p -51.67 -31.34 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 52.21 111.122 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 672' ' ' THR . . . . . 0.428 ' HG1' ' HG2' ' A' ' 668' ' ' GLU . 76.9 m -73.76 -39.35 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.5 111.156 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 53.13 110.859 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 389' ' ' THR . . . . . 0.478 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.792 0.33 . . . . 74.42 111.146 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -91.48 174.99 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.869 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -141.02 163.19 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.819 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' B' ' 403' ' ' LEU . 13.1 p -132.37 133.61 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.149 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -137.51 109.66 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.936 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 163.97 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 63.44 110.863 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 6.8 t -133.95 176.89 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.809 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -55.0 -26.83 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 63.4 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.422 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.7 OUTLIER -46.69 163.07 0.24 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 64.23 110.904 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.96 37.21 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.756 2.304 . . . . 54.22 112.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.629 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -177.79 61.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.929 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.422 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 13.3 ttmt -112.93 126.88 55.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.32 110.96 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.859 HD12 HD21 ' B' ' 403' ' ' LEU . 0.7 OUTLIER -120.21 107.96 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 74.22 111.086 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 99.15 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 61.14 110.823 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.859 HD21 HD12 ' B' ' 401' ' ' ILE . 1.7 mm? -90.99 136.19 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 43.11 110.93 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 20.3 p -144.85 144.73 31.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.154 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.2 mtp85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.31 110.837 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 63.3 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 153.53 43.85 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 73.32 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 75.31 112.329 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.788 ' HB2' HD23 ' A' ' 664' ' ' LEU . 2.2 mmm -119.98 111.1 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 72.15 110.884 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.92 154.03 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 64.5 110.896 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 612' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 616' ' ' ARG . 42.6 p90 -49.92 -39.31 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.94 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -59.37 5.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 73.11 110.832 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.6 -58.53 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 73.11 110.888 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 14.2 ptpt -59.24 -33.91 71.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.885 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.636 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.4 OUTLIER -52.06 -37.03 52.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.94 72.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.951 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' A' ' 668' ' ' GLU . 88.9 mt -51.6 -43.19 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 61.42 110.927 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.5 t -65.97 -55.04 18.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.853 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.9 -59.74 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 65.22 110.917 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 621' ' ' ASP . . . . . 0.723 ' HB3' HG21 ' A' ' 671' ' ' VAL . 0.7 OUTLIER -48.92 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 73.13 110.843 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.707 HD13 HG11 ' A' ' 633' ' ' VAL . 93.1 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 72.53 111.08 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.49 -38.62 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.89 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -28.67 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.835 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.809 HD11 HG23 ' A' ' 671' ' ' VAL . 23.8 mt -61.06 159.62 26.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 73.35 110.964 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.44 34.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 60.52 112.342 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.19 -44.64 57.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.761 -0.733 . . . . 55.41 112.434 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -50.15 -38.95 41.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 73.24 110.809 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.513 ' HG3' HD13 ' A' ' 625' ' ' LEU . 0.1 OUTLIER -70.61 -40.72 73.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 53.3 110.905 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.937 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -58.44 -63.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 75.31 110.968 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.56 -35.99 4.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 62.42 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.83 -53.54 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 70.14 110.847 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.707 HG11 HD13 ' A' ' 622' ' ' ILE . 91.5 t -63.41 -56.81 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.02 111.138 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 1.141 HG12 HD23 ' B' ' 403' ' ' LEU . 12.4 m -48.92 -32.36 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 73.24 111.153 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -67.12 -38.03 84.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.866 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.6 mt -62.53 -47.11 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 63.54 111.136 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.591 HG12 HD11 ' A' ' 667' ' ' LEU . 10.5 mt -54.14 -64.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 65.22 111.093 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.8 -24.65 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 61.44 110.916 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -35.82 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.889 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -115.12 17.28 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 74.43 110.924 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.684 0.754 . . . . 65.22 110.96 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.791 0.246 . . . . 62.44 112.356 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 650' ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -92.29 23.02 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.846 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -145.44 135.3 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 70.52 110.826 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.3 OUTLIER -138.45 140.65 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 63.32 111.13 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -119.68 98.3 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.897 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.932 HD11 HD22 ' B' ' 403' ' ' LEU . 26.1 mt -84.76 110.35 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.4 111.14 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -126.42 90.09 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.868 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.66 ' CD1' HD11 ' A' ' 664' ' ' LEU . 20.1 m-30 -57.65 -29.18 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 70.15 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.56 -30.35 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.916 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.1 t -117.3 -25.4 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.44 111.121 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -56.02 155.97 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.899 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.556 ' H ' HD13 ' A' ' 659' ' ' LEU . 4.2 mtmm -88.89 162.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 70.24 110.858 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -32.2 18.77 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.617 2.212 . . . . 72.43 112.342 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.65 -51.72 64.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 51.04 110.81 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 659' ' ' LEU . 90.2 m -67.24 -40.86 86.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 44.04 111.121 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 610' ' ' MET . 0.9 OUTLIER -51.03 -53.76 30.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 53.41 110.905 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -33.53 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 70.42 110.866 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.23 -50.54 61.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 72.52 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.591 HD11 HG12 ' A' ' 637' ' ' ILE . 5.7 mt -62.67 -38.06 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 60.34 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.429 ' HB2' HD21 ' A' ' 618' ' ' LEU . 16.6 tt0 -60.6 -28.29 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.95 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -36.14 63.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 63.53 110.934 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -76.97 -46.27 24.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 70.14 110.917 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.809 HG23 HD11 ' A' ' 625' ' ' LEU . 8.0 p -58.58 -32.67 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 70.53 111.094 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.6 m -74.05 -34.84 64.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.129 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 72.42 110.805 -179.82 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.813 0.34 . . . . 73.1 111.141 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.807 ' HB3' HD22 ' A' ' 630' ' ' LEU . 10.6 m95 -91.77 153.21 19.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -119.27 172.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.776 HG23 HD11 ' B' ' 403' ' ' LEU . 8.9 p -140.31 131.94 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 65.14 111.194 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -141.56 112.27 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 164.54 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.811 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.3 p -127.62 -175.21 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -68.01 -26.81 66.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 64.22 110.902 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.8 m-20 -47.04 165.09 0.21 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 75.5 110.91 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 398' ' ' PRO . . . . . 0.411 ' O ' HD22 ' B' ' 399' ' ' LEU . 53.7 Cg_endo -69.78 -23.57 30.56 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.695 2.263 . . . . 74.33 112.315 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.0 OUTLIER -164.93 57.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 75.11 110.881 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 15.1 ttmt -106.22 136.23 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 45.14 110.873 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.625 HG22 ' CD1' ' B' ' 403' ' ' LEU . 0.7 OUTLIER -134.71 112.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 73.3 111.153 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.46 96.96 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.874 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 1.141 HD23 HG12 ' A' ' 634' ' ' VAL . 1.2 mp -96.34 139.61 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.55 110.882 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 14.8 p -148.27 147.43 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.224 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.424 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.4 mtp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 71.14 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.863 0.364 . . . . 74.43 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 159.18 31.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 73.15 110.832 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 161.29 46.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 70.13 112.379 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.714 ' HB2' HD23 ' A' ' 664' ' ' LEU . 60.1 mmm -126.95 113.88 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 63.04 110.846 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.77 159.23 22.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 61.53 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -65.33 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.975 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.03 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 63.41 110.91 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -55.88 -30.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.513 ' HZ3' HD23 ' A' ' 618' ' ' LEU . 12.9 mmtt -71.75 -41.03 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 71.55 110.842 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.791 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.79 -32.13 29.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 74.3 110.817 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 617' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 15.0 tp60 -79.39 -34.45 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.744 HD21 ' HG3' ' A' ' 668' ' ' GLU . 0.5 OUTLIER -69.85 -42.63 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.887 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 619' ' ' SER . . . . . 0.544 ' OG ' HD11 ' B' ' 399' ' ' LEU . 1.2 p -59.22 -45.3 91.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.797 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.36 -53.37 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 64.32 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 621' ' ' ASP . . . . . 0.492 ' O ' HD13 ' A' ' 625' ' ' LEU . 37.9 m-20 -51.65 -61.2 2.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 53.14 110.842 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.812 HG22 HD12 ' A' ' 630' ' ' LEU . 76.6 mt -52.93 -37.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.073 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -65.43 -35.64 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -28.7 61.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.849 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 629' ' ' LYS . 9.1 mp -59.89 161.6 11.67 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.642 0.735 . . . . 62.4 110.881 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.18 35.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.262 . . . . 54.22 112.349 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 627' ' ' GLY . . . . . 0.66 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -55.87 -34.3 61.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 63.13 112.455 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.82 -40.82 92.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 75.41 110.866 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.668 ' HB3' HD23 ' A' ' 625' ' ' LEU . 9.7 mttt -72.93 -43.38 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 54.12 110.864 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.812 HD12 HG22 ' A' ' 622' ' ' ILE . 0.6 OUTLIER -67.54 -47.14 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 65.31 110.899 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -47.29 -43.1 18.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 73.41 112.511 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -62.87 -47.7 82.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 75.24 110.867 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 667' ' ' LEU . 90.4 t -61.61 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 60.25 111.107 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.649 HG13 HG21 ' A' ' 652' ' ' ILE . 44.0 t -50.5 -29.14 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.32 111.158 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -67.38 -35.84 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.857 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.7 mt -68.97 -36.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.106 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.657 HD11 ' CD1' ' A' ' 667' ' ' LEU . 46.0 mt -72.68 -54.43 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.099 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -61.52 -18.09 57.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 65.43 110.918 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 36.0 t -96.18 -34.11 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 70.43 110.911 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.18 -32.6 44.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.511 . . . . 64.5 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.684 0.754 . . . . 50.24 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.833 0.264 . . . . 74.43 112.325 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 650' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.35 22.9 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.861 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.29 134.07 22.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.911 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.649 HG21 HG13 ' A' ' 634' ' ' VAL . 0.2 OUTLIER -141.87 137.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 53.53 111.112 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -115.81 97.5 6.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.88 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.625 HG23 HD13 ' A' ' 637' ' ' ILE . 9.7 mt -91.76 109.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 62.12 111.169 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -127.86 97.05 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.866 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.673 ' CE2' HD12 ' B' ' 399' ' ' LEU . 18.7 m-85 -59.82 -19.39 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.898 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.17 -29.5 70.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.966 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.4 t -118.58 -26.31 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 52.42 111.112 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 158.34 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.994 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -88.25 161.45 43.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 62.41 110.816 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -31.68 19.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 50.1 112.318 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.19 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 54.3 110.918 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 91.6 m -64.22 -38.34 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 74.43 111.141 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.714 HD23 ' HB2' ' A' ' 610' ' ' MET . 1.6 mp -52.83 -60.84 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 71.52 110.869 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.4 110.938 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.65 -35.72 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 64.31 110.938 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.657 ' CD1' HD11 ' A' ' 637' ' ' ILE . 1.5 mt -77.13 -43.19 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 51.22 110.868 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.744 ' HG3' HD21 ' A' ' 618' ' ' LEU . 0.4 OUTLIER -61.49 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.845 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -35.58 63.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 71.01 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -79.02 -46.67 17.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 74.42 111.001 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 668' ' ' GLU . 9.9 p -57.18 -32.38 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 73.04 111.139 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.3 m -73.3 -42.31 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 75.33 111.08 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 73.05 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 389' ' ' THR . . . . . 0.66 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 73.53 111.113 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.427 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 6.7 m95 -85.59 160.32 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.901 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -139.41 161.97 36.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.863 HG23 HD22 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -134.51 159.66 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 73.53 111.131 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.7 101.62 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 73.32 110.947 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 157.84 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 50.54 110.817 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.75 -179.52 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 54.32 110.819 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -55.26 -26.2 38.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 74.53 111.004 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.5 m120 -46.04 162.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.659 0.742 . . . . 74.3 110.838 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -19.38 36.32 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.244 . . . . 75.31 112.318 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -177.96 60.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.878 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 24.3 ttmt -112.18 118.92 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.898 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -118.26 109.0 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 70.42 111.126 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.23 100.0 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.915 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.863 HD22 HG23 ' B' ' 392' ' ' VAL . 0.5 OUTLIER -83.15 144.34 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 55.14 110.921 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 39.7 p -151.9 144.06 23.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 71.21 111.221 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 23.0 mtp85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 72.21 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 60.4 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 155.75 36.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.459 0.647 . . . . 73.2 110.967 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.05 54.86 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.27 . . . . 74.1 112.318 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.562 ' CB ' HD22 ' A' ' 664' ' ' LEU . 56.9 mmm -135.06 113.27 11.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 65.22 110.944 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.5 110.923 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 612' ' ' TYR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 21.5 p90 -64.37 -28.87 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.947 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.5 . . . . 71.35 110.862 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -68.47 -33.03 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.875 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.634 ' HG2' HD11 ' A' ' 664' ' ' LEU . 2.5 mtmt -60.4 -57.69 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.978 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.682 ' HA ' HD21 ' B' ' 399' ' ' LEU . 2.9 ptt180 -51.66 -33.28 32.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.831 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -34.3 76.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 71.22 110.942 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.616 HD11 HD23 ' A' ' 664' ' ' LEU . 40.4 mt -69.89 -53.94 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.91 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 619' ' ' SER . . . . . 0.628 ' OG ' HD11 ' B' ' 399' ' ' LEU . 3.1 p -51.0 -37.97 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 71.05 110.841 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 54.31 110.905 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.14 -61.04 2.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 74.43 110.841 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.578 HG22 HD12 ' A' ' 630' ' ' LEU . 3.5 mt -53.79 -40.55 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.096 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.58 -41.53 99.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.03 110.813 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -69.34 -28.41 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 54.32 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.643 ' CD2' HG23 ' A' ' 671' ' ' VAL . 3.6 mp -62.35 160.48 32.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 75.31 110.909 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 165.06 32.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 75.42 112.346 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 627' ' ' GLY . . . . . 0.511 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -50.2 -57.66 9.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 64.0 112.475 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -50.19 -39.7 44.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 72.15 110.89 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.463 ' HD2' HD23 ' A' ' 625' ' ' LEU . 2.7 mmtm -67.19 -40.31 86.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 73.23 110.893 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.89 HD21 HD12 ' B' ' 403' ' ' LEU . 0.6 OUTLIER -68.81 -49.19 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.882 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.29 -39.35 5.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.41 112.494 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -48.8 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 73.04 110.817 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.562 HG21 HG12 ' A' ' 622' ' ' ILE . 31.4 t -61.06 -56.02 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.172 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.603 HG22 ' HG ' ' B' ' 403' ' ' LEU . 16.6 t -50.62 -33.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.078 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -64.6 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.895 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.2 mt -69.1 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.44 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.709 HG21 HG23 ' A' ' 654' ' ' ILE . 65.9 mt -54.06 -44.37 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 111.128 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -70.44 -14.3 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 54.04 110.903 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.3 m -90.65 -35.67 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -32.76 16.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 71.01 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.612 0.72 . . . . 74.12 110.892 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.464 -0.225 0 CA-C-O 120.826 0.261 . . . . 54.33 112.354 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 6.19 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.827 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.42 136.78 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 72.42 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.545 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.18 141.82 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 71.14 111.099 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -118.19 98.33 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.836 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.748 HD13 HD23 ' B' ' 403' ' ' LEU . 2.6 mp -90.85 108.88 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 75.24 111.179 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 655' ' ' ASP . . . . . 0.665 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -109.27 96.38 6.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.808 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.693 ' CE2' HD12 ' B' ' 399' ' ' LEU . 7.4 m-30 -56.4 -26.15 52.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.841 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -56.95 -40.27 76.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 63.31 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.665 HG22 ' HB2' ' A' ' 655' ' ' ASP . 8.8 t -104.51 -19.75 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 60.34 111.117 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.507 HD11 HG23 ' A' ' 637' ' ' ILE . 7.2 tp -55.9 144.26 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.923 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.16 162.33 40.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 74.4 110.829 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.7 17.81 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 75.51 112.308 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -43.93 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 61.31 110.835 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.413 HG21 ' HA ' ' A' ' 637' ' ' ILE . 23.8 m -72.61 -43.37 63.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.124 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.634 HD11 ' HG2' ' A' ' 615' ' ' LYS . 0.1 OUTLIER -52.4 -59.52 4.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 64.22 110.915 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.84 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.854 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.92 -33.86 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.902 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 637' ' ' ILE . 2.7 mt -75.94 -56.35 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 63.3 110.945 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.417 ' HA ' HG12 ' A' ' 671' ' ' VAL . 1.2 tt0 -51.96 -31.1 27.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.842 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -34.89 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 62.34 110.873 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -79.13 -49.1 13.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.948 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.643 HG23 ' CD2' ' A' ' 625' ' ' LEU . 8.3 p -53.98 -33.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 64.14 111.121 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 21.4 m -82.15 -33.84 29.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.32 111.127 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.1 110.885 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 389' ' ' THR . . . . . 0.511 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.83 0.348 . . . . 61.53 111.123 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.539 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 7.9 m95 -87.2 161.77 17.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.929 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -139.75 164.66 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 74.33 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.681 HG23 HD22 ' B' ' 403' ' ' LEU . 1.5 p -137.91 144.53 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 73.43 111.154 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -137.21 99.66 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.924 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 170.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.827 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.55 -169.2 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.8 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -70.73 -29.34 65.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 73.21 110.934 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.428 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.9 m-20 -47.6 164.9 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.647 0.736 . . . . 74.21 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 -12.91 34.0 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 73.24 112.425 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.693 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -178.95 59.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 73.23 110.893 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 655' ' ' ASP . 0.9 OUTLIER -108.95 119.48 39.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 70.34 110.851 179.791 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.651 HD12 ' HB ' ' A' ' 654' ' ' ILE . 0.5 OUTLIER -122.44 111.97 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.151 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -86.65 106.2 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.839 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.89 HD12 HD21 ' A' ' 630' ' ' LEU . 2.4 mm? -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.925 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 19.7 p -146.5 143.14 28.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 54.25 111.149 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.02 110.933 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.1 p . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.814 0.34 . . . . 51.21 110.96 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -98.53 154.34 37.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 65.3 110.876 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.3 Cg_endo -69.82 161.04 47.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 75.23 112.332 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.6 mmm -123.81 106.84 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 75.1 110.848 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 148.59 50.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.904 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -44.24 -35.87 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 73.1 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 -48.75 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 70.55 110.924 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.811 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.733 ' HA ' HD23 ' A' ' 618' ' ' LEU . 3.1 mtmm -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.874 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.464 ' HA ' HD21 ' B' ' 399' ' ' LEU . 5.9 mtm180 -68.39 -45.76 71.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.841 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -55.75 -28.94 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 54.15 110.856 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.77 HD12 HD12 ' A' ' 622' ' ' ILE . 0.3 OUTLIER -86.05 -28.75 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 65.42 110.883 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 619' ' ' SER . . . . . 0.418 ' HB3' HD11 ' B' ' 399' ' ' LEU . 30.5 p -65.02 -46.64 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 54.04 110.829 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.2 tp -77.89 -40.87 38.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 72.12 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.16 -58.32 5.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.847 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.77 HD12 HD12 ' A' ' 618' ' ' LEU . 33.2 mt -57.9 -38.85 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 72.01 111.144 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -37.71 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.885 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -70.77 -28.64 64.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.614 ' CD1' HG23 ' A' ' 671' ' ' VAL . 23.7 mt -68.3 160.48 75.3 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 72.13 110.918 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 164.67 33.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 73.34 112.348 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.56 54.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 53.22 112.471 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.04 -40.19 30.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 64.34 110.873 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.9 mmtp -71.68 -35.76 70.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.86 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.966 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -63.46 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 63.11 110.908 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.63 -35.62 2.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.23 112.574 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -53.76 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 72.24 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.527 HG11 ' CD1' ' A' ' 622' ' ' ILE . 59.2 t -64.93 -52.91 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.31 111.151 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.968 HG12 HD23 ' B' ' 403' ' ' LEU . 6.7 m -48.38 -32.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.186 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.62 -37.21 73.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.507 . . . . 54.44 110.829 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.53 -37.72 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 71.25 111.144 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.764 HG21 HG12 ' A' ' 654' ' ' ILE . 3.1 mp -65.72 -65.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.127 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 638' ' ' GLN . . . . . 0.734 ' HB3' HD11 ' A' ' 652' ' ' ILE . 9.0 pt20 -53.96 -24.32 16.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.913 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -71.24 -34.88 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 70.41 110.821 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -115.14 17.4 16.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.899 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 62.41 110.834 -179.852 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.775 0.239 . . . . 73.11 112.395 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 650' ' ' ASP . . . . . 0.424 ' CG ' ' HB2' ' B' ' 405' ' ' ARG . 4.9 t70 -83.13 11.69 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.884 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.425 ' HA ' HG22 ' B' ' 404' ' ' THR . 28.5 tt0 -150.29 129.69 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.4 110.895 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.734 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.0 OUTLIER -142.38 133.67 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.094 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -117.4 98.73 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 71.21 110.919 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.764 HG12 HG21 ' A' ' 637' ' ' ILE . 36.3 mt -91.54 108.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 63.53 111.136 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -106.19 96.04 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' B' ' 399' ' ' LEU . 5.1 m-30 -57.65 -28.4 63.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.876 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -54.27 -34.22 60.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 51.01 110.854 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.6 t -112.45 -21.23 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 35.32 111.069 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.34 154.18 6.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 75.5 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -88.19 158.84 49.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 74.24 110.908 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 661' ' ' PRO . . . . . 0.428 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.1 Cg_endo -69.83 -38.1 8.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 70.55 112.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.06 56.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 62.23 110.875 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.414 HG21 ' HA ' ' A' ' 637' ' ' ILE . 25.5 m -63.29 -44.37 95.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.17 -0.468 . . . . 53.54 111.171 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 615' ' ' LYS . 0.1 OUTLIER -51.56 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 53.15 110.899 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -34.66 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 52.04 110.946 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.44 -34.63 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.962 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 637' ' ' ILE . 1.2 mt -77.4 -44.84 27.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 74.44 110.885 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.447 ' HA ' HG12 ' A' ' 671' ' ' VAL . 22.2 tt0 -59.59 -27.64 66.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.464 . . . . 72.24 110.892 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.32 -35.67 47.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.02 110.832 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -78.88 -36.58 41.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.942 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.614 HG23 ' CD1' ' A' ' 625' ' ' LEU . 7.8 p -69.91 -31.75 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.167 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -76.43 -31.07 57.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 53.12 111.195 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 65.41 110.825 -179.848 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.741 0.305 . . . . 62.14 111.148 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.798 ' HB3' HD22 ' A' ' 630' ' ' LEU . 16.2 m95 -89.49 156.29 18.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.928 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -130.01 175.07 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 70.24 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' B' ' 401' ' ' ILE . 14.8 p -137.99 131.5 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 63.14 111.144 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -139.77 112.34 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 168.87 17.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.914 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.48 -173.13 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 31.54 110.812 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -65.27 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 74.53 110.9 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.34 165.29 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 65.32 110.889 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.86 37.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 62.02 112.35 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.729 HD12 HD11 ' B' ' 401' ' ' ILE . 0.1 OUTLIER -174.85 56.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.9 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -102.08 103.86 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.858 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.729 HD11 HD12 ' B' ' 399' ' ' LEU . 0.9 OUTLIER -102.05 110.52 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 72.41 111.113 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 95.93 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.31 110.839 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.968 HD23 HG12 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -89.82 139.01 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 72.11 110.88 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 651' ' ' GLU . 27.1 p -149.04 141.24 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 61.13 111.14 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.424 ' HB2' ' CG ' ' A' ' 650' ' ' ASP . 54.5 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.85 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.835 0.35 . . . . 50.31 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -93.37 153.41 41.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 75.43 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 161.1 47.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 74.21 112.351 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 610' ' ' MET . . . . . 0.713 ' HB2' HD22 ' A' ' 664' ' ' LEU . 24.0 mmm -125.66 129.76 50.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.83 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.04 154.36 22.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.827 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -50.91 -35.15 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 75.13 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -59.24 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 61.41 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.729 ' HD3' HD21 ' A' ' 664' ' ' LEU . 0.0 OUTLIER -49.9 -32.85 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.929 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.797 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -55.97 -45.25 78.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.834 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -67.98 -26.24 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.93 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.686 HD11 ' HA ' ' A' ' 668' ' ' GLU . 4.3 mm? -70.72 -48.95 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.985 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -41.56 68.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 73.23 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.83 -61.04 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.841 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.772 HD13 HG11 ' A' ' 633' ' ' VAL . 97.0 mt -53.64 -35.73 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 51.34 111.084 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.76 -41.14 88.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.873 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -69.19 -28.83 66.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.727 HD23 ' HE2' ' A' ' 629' ' ' LYS . 1.2 mp -62.78 162.15 23.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 63.33 110.906 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 163.83 36.84 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.681 2.254 . . . . 73.24 112.316 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.6 -48.35 55.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 62.03 112.435 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -49.6 -38.01 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 72.11 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.727 ' HE2' HD23 ' A' ' 625' ' ' LEU . 0.0 OUTLIER -70.13 -59.13 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.927 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.77 HD21 ' HG ' ' B' ' 403' ' ' LEU . 2.0 tt -51.87 -45.29 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.33 110.938 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -50.5 -40.24 38.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 61.02 112.465 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.44 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 64.33 110.912 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.772 HG11 HD13 ' A' ' 622' ' ' ILE . 92.6 t -65.29 -56.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.081 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.759 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 3.0 p -50.03 -34.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.212 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -36.34 83.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 74.4 110.821 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.9 mt -65.23 -56.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 71.44 111.139 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.743 HG21 HG12 ' A' ' 654' ' ' ILE . 4.1 mp -49.93 -62.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.53 111.133 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -50.45 -28.74 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 71.42 110.9 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -49.91 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.888 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -97.47 17.21 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 73.54 110.97 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.653 0.739 . . . . 73.42 110.848 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.751 0.229 . . . . 72.04 112.342 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 650' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.1 OUTLIER -91.4 22.43 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.04 110.854 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.44 ' HA ' HG22 ' B' ' 404' ' ' THR . 37.8 tt0 -148.41 135.78 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.15 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.721 HG21 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.48 144.93 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.132 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -118.43 97.96 6.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 62.43 110.89 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.796 HD11 HD22 ' B' ' 403' ' ' LEU . 27.9 mt -89.58 108.64 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 61.12 111.178 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 655' ' ' ASP . . . . . 0.628 ' C ' HD12 ' A' ' 659' ' ' LEU . 0.0 OUTLIER -121.15 104.37 9.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.861 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.7 m-85 -63.46 -14.72 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.84 -26.21 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 64.53 110.924 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 655' ' ' ASP . 13.2 t -118.34 -24.92 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 65.41 111.166 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.631 HD21 HG23 ' A' ' 637' ' ' ILE . 6.3 mt -54.69 160.2 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 62.34 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -89.26 162.56 36.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.531 0.681 . . . . 74.21 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.64 28.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.626 2.218 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -54.77 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.83 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 5.2 m -57.26 -40.44 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 74.41 111.139 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.729 HD21 ' HD3' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -54.78 -46.76 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.916 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -70.41 -34.38 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 75.23 110.905 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.66 -45.3 63.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.844 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.633 ' CD1' HD11 ' A' ' 637' ' ' ILE . 5.2 mt -67.14 -49.24 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 43.42 110.934 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.686 ' HA ' HD11 ' A' ' 618' ' ' LEU . 46.7 tt0 -55.77 -27.32 50.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.817 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -34.11 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.845 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -79.09 -47.21 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.91 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.471 HG23 ' CD2' ' A' ' 625' ' ' LEU . 7.3 p -56.78 -33.14 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.1 111.098 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.8 m -76.99 -34.75 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.157 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 51.55 110.861 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.751 0.31 . . . . 74.12 111.15 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.759 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 7.5 m95 -73.29 155.51 39.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.873 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -136.22 174.5 10.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 64.41 110.83 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 630' ' ' LEU . 68.1 t -150.39 143.07 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.24 111.156 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -136.22 108.97 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 44.33 110.963 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 165.44 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.92 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 8.3 t -134.51 179.84 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 53.34 110.827 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.92 -26.3 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 54.43 110.918 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.405 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.7 OUTLIER -46.51 163.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 60.22 110.911 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.72 36.61 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.66 2.24 . . . . 71.44 112.296 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -177.43 60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 63.1 110.831 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.405 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 8.9 ttmt -115.56 119.34 35.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.866 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.453 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -116.61 112.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.52 111.156 179.802 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -82.58 103.69 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.87 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 654' ' ' ILE . 5.1 mp -88.3 135.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 70.24 110.91 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 651' ' ' GLU . 25.7 p -147.43 141.76 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 64.03 111.185 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.0 mtp85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 60.53 110.884 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.846 0.355 . . . . 64.51 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -97.64 156.41 36.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 60.31 110.899 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 74.35 112.322 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 43.6 mtp -150.35 119.22 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.902 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.4 t -80.82 -179.46 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 63.05 110.852 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 612' ' ' TYR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 30.2 p90 -61.63 -25.56 67.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.926 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -60.92 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.906 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.12 -21.83 64.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 74.52 110.836 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.521 ' HE3' HD11 ' B' ' 401' ' ' ILE . 0.0 OUTLIER -70.37 -56.82 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.924 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -28.2 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.88 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -78.91 -55.48 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.946 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.581 HD12 HD12 ' A' ' 622' ' ' ILE . 1.6 pp -61.57 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 73.15 110.937 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 5.5 p -65.48 -47.41 76.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 54.24 110.856 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.99 -48.45 65.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 621' ' ' ASP . . . . . 0.469 ' O ' HD13 ' A' ' 625' ' ' LEU . 7.7 t0 -51.4 -55.31 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 64.33 110.823 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.581 HD12 HD12 ' A' ' 618' ' ' LEU . 60.5 mt -52.14 -35.95 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.081 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -72.75 -35.95 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -28.55 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 64.13 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.587 HD23 ' HB3' ' A' ' 629' ' ' LYS . 6.5 mp -57.16 161.37 5.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 74.25 110.871 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 164.55 34.2 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.706 2.27 . . . . 75.11 112.324 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.64 -57.82 10.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 64.4 112.535 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -49.3 -37.79 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 73.11 110.884 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.732 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.5 mmtm -67.26 -39.62 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.944 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.732 ' O ' HG12 ' A' ' 634' ' ' VAL . 2.0 tt -63.92 -46.83 83.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.924 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.04 -38.32 38.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 64.11 112.495 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -40.4 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 73.45 110.831 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 629' ' ' LYS . 17.5 t -62.25 -63.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 42.43 111.062 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 630' ' ' LEU . 1.6 p -49.3 -33.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.143 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -47.56 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 61.11 110.838 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.43 -52.26 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 71.51 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.571 HD13 HD13 ' A' ' 654' ' ' ILE . 46.3 mt -60.28 -27.39 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 73.04 111.109 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -63.79 -37.64 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 54.52 110.919 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.23 -24.7 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.906 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.77 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 65.54 110.815 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 72.4 110.898 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.762 0.234 . . . . 74.3 112.326 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 650' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.53 16.75 7.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 64.42 110.869 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' B' ' 404' ' ' THR . 73.4 tt0 -148.19 139.68 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.845 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.578 HD12 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.06 139.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 72.54 111.139 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -115.7 99.81 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.55 110.851 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.936 HG22 HD11 ' A' ' 659' ' ' LEU . 8.0 mt -86.32 109.76 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.165 -0.47 . . . . 72.45 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.18 100.91 10.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 659' ' ' LEU . 5.5 t80 -53.7 -34.47 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.64 -27.75 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 75.21 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 p -112.36 11.89 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 64.15 111.134 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.936 HD11 HG22 ' A' ' 654' ' ' ILE . 17.2 mt -92.19 144.16 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.86 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.58 164.11 30.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.566 0.698 . . . . 75.21 110.889 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.05 32.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 62.13 112.338 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -52.55 17.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 73.23 110.76 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.583 HG22 HD11 ' A' ' 667' ' ' LEU . 25.2 m -59.69 -33.83 72.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.115 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 615' ' ' LYS . 1.1 tp -62.8 -44.6 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 61.2 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -40.34 46.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.842 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.44 -55.09 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 53.31 110.866 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.583 HD11 HG22 ' A' ' 663' ' ' THR . 2.9 mt -63.51 -37.5 87.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 72.4 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.433 ' HA ' HG12 ' A' ' 671' ' ' VAL . 23.0 tt0 -63.92 -25.84 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.938 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -75.33 -34.51 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 75.35 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.91 -41.18 37.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.818 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 625' ' ' LEU . 9.1 p -66.78 -32.18 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 70.55 111.159 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.1 m -76.34 -28.72 56.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 73.15 111.191 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 61.34 110.953 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.754 0.312 . . . . 74.33 111.136 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.714 ' HB3' HD22 ' A' ' 630' ' ' LEU . 7.7 m95 -75.45 154.11 37.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.892 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -133.25 176.34 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 63.12 110.89 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.73 HG23 HD11 ' A' ' 630' ' ' LEU . 90.0 t -150.58 137.5 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 75.35 111.119 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -138.63 110.24 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.44 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 172.56 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 71.53 110.836 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -132.71 178.48 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.913 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -57.95 -28.61 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.898 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.31 165.11 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 70.12 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.03 37.19 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.647 2.231 . . . . 72.14 112.384 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.728 HD12 HD11 ' B' ' 401' ' ' ILE . 0.0 OUTLIER -174.37 56.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 54.35 110.904 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -102.04 98.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 65.05 110.917 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.728 HD11 HD12 ' B' ' 399' ' ' LEU . 2.1 mp -93.41 128.57 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 74.42 111.051 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.64 100.15 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.89 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 634' ' ' VAL . 5.6 mp -91.79 135.95 33.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 71.54 110.987 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 651' ' ' GLU . 21.5 p -148.45 142.21 25.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.13 111.168 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.5 mtp85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 75.41 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.901 0.382 . . . . 51.43 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.64 156.01 36.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.539 0.685 . . . . 75.32 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.3 Cg_endo -69.78 157.83 59.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.257 . . . . 74.21 112.366 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.4 mmm -128.64 128.13 43.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 9.2 m -95.39 178.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.865 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 612' ' ' TYR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 26.7 p90 -68.24 -28.06 66.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 74.1 110.907 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -61.1 2.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 62.33 110.925 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -29.17 69.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 74.12 110.899 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.753 ' HA ' HD23 ' A' ' 618' ' ' LEU . 69.5 mttt -66.66 -60.54 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 64.02 110.886 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.645 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -49.46 -28.11 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.894 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.17 -42.41 46.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.852 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.753 HD23 ' HA ' ' A' ' 615' ' ' LYS . 0.5 OUTLIER -66.61 -33.38 75.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 63.02 110.863 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.5 -50.21 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 71.3 110.849 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 14.7 tp -74.99 -44.49 47.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 65.52 110.97 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -50.01 -61.17 2.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 61.53 110.915 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.767 HD13 HG11 ' A' ' 633' ' ' VAL . 85.4 mt -55.78 -34.99 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 61.31 111.103 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 60.42 110.889 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.05 110.942 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.68 161.04 77.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 75.11 110.904 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.61 33.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 75.13 112.337 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.63 -41.31 42.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 64.42 112.493 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -49.76 -40.06 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 70.14 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -52.29 19.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 41.13 110.952 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.768 HD21 HD12 ' B' ' 403' ' ' LEU . 0.6 OUTLIER -54.75 -51.94 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 72.0 110.948 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.83 -46.0 9.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.776 -0.726 . . . . 61.4 112.443 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -41.42 99.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 75.34 110.897 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.767 HG11 HD13 ' A' ' 622' ' ' ILE . 87.3 t -69.55 -59.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 43.23 111.085 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 630' ' ' LEU . 5.9 t -47.78 -33.51 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 61.41 111.105 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.37 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.823 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.44 HG21 ' CG ' ' A' ' 666' ' ' GLU . 2.1 mt -50.78 -59.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 75.11 111.14 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.537 HD13 HD13 ' A' ' 654' ' ' ILE . 13.2 mt -66.13 -23.7 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 74.35 111.076 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -61.38 -37.98 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 35.3 110.953 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 -24.19 15.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.902 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -78.49 -32.62 48.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.64 0.733 . . . . 51.02 110.84 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.801 0.25 . . . . 74.44 112.354 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 650' ' ' ASP . . . . . 0.455 ' HA ' ' CG ' ' B' ' 405' ' ' ARG . 1.5 t70 -78.6 0.44 26.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' B' ' 404' ' ' THR . 0.3 OUTLIER -144.24 124.31 13.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 74.45 110.833 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.468 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.56 140.58 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.51 111.162 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -118.14 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 70.12 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.792 HD12 HD23 ' B' ' 403' ' ' LEU . 18.1 mt -96.21 108.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 65.13 111.116 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.58 103.73 9.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.913 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.745 ' CZ ' HD21 ' A' ' 618' ' ' LEU . 19.6 m-85 -60.16 -30.54 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 72.45 110.883 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.66 -31.6 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.1 t -114.35 -24.52 8.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.194 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.4 tp -55.56 153.65 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.946 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 660' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 664' ' ' LEU . 0.1 OUTLIER -88.11 161.49 43.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 70.55 110.915 179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 661' ' ' PRO . . . . . 0.408 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.1 Cg_endo -69.75 -33.52 16.46 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.714 2.276 . . . . 63.21 112.324 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -57.53 -53.17 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 60.23 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.675 ' O ' HD22 ' A' ' 667' ' ' LEU . 94.7 m -67.11 -46.34 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 53.22 111.138 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -49.47 -47.31 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 73.44 110.928 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.6 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.88 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 666' ' ' GLU . . . . . 0.44 ' CG ' HG21 ' A' ' 636' ' ' ILE . 4.0 tp10 -56.26 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 63.5 110.884 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 663' ' ' THR . 0.3 OUTLIER -51.69 -57.76 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.923 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.598 ' HA ' HG12 ' A' ' 671' ' ' VAL . 3.1 tt0 -51.83 -35.07 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.91 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -33.56 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 71.51 110.863 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -56.44 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.1 p -55.57 -31.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 70.43 111.15 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 58.8 m -75.06 -35.74 61.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 74.03 111.188 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 64.34 110.885 -179.892 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.76 0.314 . . . . 54.03 111.188 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.518 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 12.5 m95 -76.77 170.21 16.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 64.23 110.877 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -155.6 172.73 17.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 65.04 110.877 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.5 HG23 HD13 ' B' ' 403' ' ' LEU . 3.7 p -140.94 154.58 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 41.23 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -160.88 123.21 3.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 63.05 110.84 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.19 151.78 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.862 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.47 -172.22 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.21 110.878 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -51.66 -31.93 27.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 64.35 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 397' ' ' ASN . . . . . 0.423 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -47.37 163.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 70.21 110.922 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -18.53 37.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.795 2.33 . . . . 72.55 112.368 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.645 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -178.55 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.865 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 400' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 12.3 ttmt -106.31 92.09 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.954 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.71 HD12 HD21 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -83.3 110.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.07 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.14 107.97 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 63.55 110.875 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.792 HD23 HD12 ' A' ' 654' ' ' ILE . 3.6 mm? -93.55 142.14 27.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.913 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 651' ' ' GLU . 56.1 p -149.18 141.1 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 51.1 111.147 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 405' ' ' ARG . . . . . 0.455 ' CG ' ' HA ' ' A' ' 650' ' ' ASP . 4.3 mtt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 61.14 110.878 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.915 0.388 . . . . 64.43 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -83.65 153.3 64.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 63.42 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' PRO . . . . . 0.403 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.8 Cg_endo -69.74 150.0 67.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.62 2.214 . . . . 74.03 112.353 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 18.0 mmm -116.12 106.84 14.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 64.3 110.922 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.7 155.76 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.13 110.838 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -49.5 -31.78 10.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 70.05 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -62.56 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.846 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -70.71 -30.72 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 63.45 110.816 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 615' ' ' LYS . . . . . 0.728 ' HG2' HD22 ' A' ' 664' ' ' LEU . 5.6 mtmp? -64.14 -50.35 68.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.884 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 616' ' ' ARG . . . . . 0.658 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -56.36 -31.5 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.888 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -39.84 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.936 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 618' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 622' ' ' ILE . 4.1 mm? -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.45 110.836 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.33 -54.46 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 54.03 110.83 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.82 -51.1 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 61.32 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 621' ' ' ASP . . . . . 0.646 ' HB3' HG21 ' A' ' 671' ' ' VAL . 1.2 m-20 -49.2 -59.51 3.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 70.13 110.902 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 622' ' ' ILE . . . . . 0.819 HG22 HD12 ' A' ' 630' ' ' LEU . 3.4 mt -63.33 -33.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.101 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 623' ' ' ASN . . . . . 0.707 ' ND2' HG11 ' B' ' 392' ' ' VAL . 2.0 m120 -62.14 -41.48 98.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.929 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -77.18 -28.49 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.838 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 625' ' ' LEU . . . . . 0.74 HD23 ' HB3' ' A' ' 629' ' ' LYS . 3.9 mp -63.07 160.84 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 73.35 110.946 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.64 33.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 74.2 112.323 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 627' ' ' GLY . . . . . 0.404 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.35 -51.38 37.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 61.1 112.544 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -49.95 -39.34 40.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.379 . . . . 71.3 110.86 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.74 ' HB3' HD23 ' A' ' 625' ' ' LEU . 0.0 OUTLIER -68.68 -35.95 77.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.926 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 630' ' ' LEU . . . . . 0.819 HD12 HG22 ' A' ' 622' ' ' ILE . 0.6 OUTLIER -71.58 -52.18 19.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.944 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.64 5.07 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.802 -0.713 . . . . 65.25 112.462 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -47.07 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 75.01 110.883 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 633' ' ' VAL . . . . . 0.796 HG21 HG12 ' A' ' 622' ' ' ILE . 89.5 t -63.23 -58.12 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 63.32 111.12 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 634' ' ' VAL . . . . . 0.572 HG22 ' HG ' ' B' ' 403' ' ' LEU . 7.9 t -50.01 -34.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.129 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -37.34 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.895 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 636' ' ' ILE . . . . . 0.464 ' HB ' HD11 ' A' ' 667' ' ' LEU . 1.0 OUTLIER -70.55 -58.72 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 72.04 111.144 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 637' ' ' ILE . . . . . 0.543 HD13 HD13 ' A' ' 654' ' ' ILE . 47.3 mt -55.17 -40.37 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 63.2 111.189 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -75.33 -14.19 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.878 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 14.9 t -88.38 -26.03 22.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -103.55 -34.51 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 61.02 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.74 . . . . 74.55 110.856 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.779 0.241 . . . . 64.3 112.317 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -8.3 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.41 110.859 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 651' ' ' GLU . . . . . 0.445 ' HA ' HG22 ' B' ' 404' ' ' THR . 4.8 tt0 -140.61 132.52 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.864 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 652' ' ' ILE . . . . . 0.489 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.27 143.76 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 72.43 111.139 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 97.75 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 65.54 110.915 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 654' ' ' ILE . . . . . 0.819 HD12 HD23 ' B' ' 403' ' ' LEU . 22.0 mt -89.97 108.89 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.31 111.155 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 655' ' ' ASP . . . . . 0.581 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.8 OUTLIER -114.93 94.19 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.843 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 656' ' ' PHE . . . . . 0.695 ' CE2' HD12 ' B' ' 399' ' ' LEU . 7.2 m-30 -51.88 -27.82 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 71.5 110.903 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -54.22 -35.15 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.581 HG22 ' HB2' ' A' ' 655' ' ' ASP . 7.6 t -112.5 -20.94 11.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 65.13 111.094 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 659' ' ' LEU . . . . . 0.486 HD23 ' HG ' ' A' ' 664' ' ' LEU . 5.5 tp -55.39 144.79 24.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.982 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.39 161.45 42.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 71.01 110.841 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 661' ' ' PRO . . . . . 0.403 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.5 Cg_endo -69.76 -38.04 8.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 64.01 112.29 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.9 -48.73 60.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 53.43 110.879 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 663' ' ' THR . . . . . 0.659 ' O ' HD22 ' A' ' 667' ' ' LEU . 84.7 m -70.94 -49.92 40.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 61.24 111.142 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 664' ' ' LEU . . . . . 0.728 HD22 ' HG2' ' A' ' 615' ' ' LYS . 0.3 OUTLIER -48.95 -48.27 43.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.956 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -63.59 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.14 110.942 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -56.55 19.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.874 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 667' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 663' ' ' THR . 0.4 OUTLIER -51.13 -47.7 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.45 110.892 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 668' ' ' GLU . . . . . 0.606 ' HA ' HD11 ' A' ' 618' ' ' LEU . 43.8 tt0 -51.97 -35.49 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.884 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.86 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.91 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -83.43 -51.82 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 61.54 110.977 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 671' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 621' ' ' ASP . 5.0 p -56.57 -32.09 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 74.04 111.156 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.7 m -78.76 -34.62 45.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 52.24 111.145 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 54.21 110.907 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 389' ' ' THR . . . . . 0.404 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.808 0.337 . . . . 73.22 111.133 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 390' ' ' TRP . . . . . 0.541 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 7.6 m95 -88.56 173.7 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 64.21 110.936 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -146.13 161.17 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.43 110.845 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 392' ' ' VAL . . . . . 0.707 HG11 ' ND2' ' A' ' 623' ' ' ASN . 3.9 p -137.81 142.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 70.03 111.178 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -141.64 111.19 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.923 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 158.44 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 73.54 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 7.8 t -124.99 -170.91 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 63.43 110.908 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -63.58 -24.5 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.994 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -45.75 162.37 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 74.03 110.896 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -17.47 37.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 73.32 112.327 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 399' ' ' LEU . . . . . 0.695 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -179.33 60.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 63.53 110.89 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -112.07 121.48 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.902 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 401' ' ' ILE . . . . . 0.439 HD12 HD21 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -122.11 113.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.183 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.07 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.881 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 403' ' ' LEU . . . . . 0.819 HD23 HD12 ' A' ' 654' ' ' ILE . 3.2 mm? -96.8 138.48 34.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 404' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 651' ' ' GLU . 25.5 p -148.31 143.24 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.163 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.01 110.845 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.892 0.377 . . . . 74.25 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 7.8 m -142.56 -77.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 44.25 110.814 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 64.21 27.61 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 71.54 110.825 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -75.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 65.43 110.842 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 71.97 -68.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.909 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -53.74 -35.21 60.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 72.3 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -65.85 -30.49 71.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.932 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 49.1 t -80.43 106.54 12.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.88 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 157.99 36.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 64.41 110.884 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 609' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.4 Cg_endo -69.68 157.96 58.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 72.2 112.372 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.507 ' HB2' HD23 ' A' ' 664' ' ' LEU . 15.8 mmm -117.09 120.76 39.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 61.13 110.867 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.35 149.23 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 53.54 110.85 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -51.3 -33.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.935 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -51.04 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 75.11 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -47.66 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 54.33 110.919 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.477 ' HE3' HD21 ' A' ' 664' ' ' LEU . 5.0 mtpt -52.14 -39.61 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.21 110.934 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.746 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.865 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -57.0 -23.77 48.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.435 HD21 ' CG ' ' A' ' 668' ' ' GLU . 1.0 OUTLIER -77.24 -45.73 25.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.908 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.629 ' HB3' HD11 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -51.7 -45.9 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 61.45 110.903 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.12 -48.59 56.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -52.65 -56.37 15.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.857 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 94.7 mt -51.86 -35.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 44.33 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -72.61 -33.21 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.1 110.934 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.99 -28.7 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.896 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 1.026 HD11 HG23 ' A' ' 671' ' ' VAL . 14.7 mt -57.89 154.62 27.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 54.03 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 626' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 53.8 Cg_endo -69.78 165.31 31.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 53.44 112.346 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -49.05 -56.34 10.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 55.02 112.483 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -50.43 -38.31 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 61.53 110.912 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -67.53 -35.35 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 73.24 110.926 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' B' ' 390' ' ' TRP . 0.6 OUTLIER -65.46 -47.51 75.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 61.32 110.959 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.3 -40.28 45.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 62.22 112.509 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -45.27 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 74.12 110.839 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 629' ' ' LYS . 38.4 t -62.11 -56.61 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 65.3 111.13 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 1.044 HG22 HD23 ' B' ' 403' ' ' LEU . 19.4 t -51.04 -33.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 75.01 111.114 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -64.32 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 55.34 110.859 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.461 HD12 HD23 ' A' ' 667' ' ' LEU . 3.7 mt -56.28 -51.9 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.144 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.757 HD13 HD13 ' A' ' 654' ' ' ILE . 5.9 mt -72.16 -31.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.131 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -65.42 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.88 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -27.55 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.866 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.52 -32.85 48.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.469 ' HG2' HD23 ' A' ' 644' ' ' LEU . 0.6 OUTLIER -88.97 123.53 67.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.658 0.742 . . . . 75.15 110.818 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -42.9 2.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 52.14 112.323 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 32.7 t -62.39 -28.92 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 75.32 110.856 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.723 HD11 HG12 ' A' ' 652' ' ' ILE . 0.4 OUTLIER -60.99 -166.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.867 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt 69.03 35.59 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.895 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -69.03 175.95 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.44 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 90.1 p -59.16 -21.92 60.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 55.33 110.826 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -108.86 87.46 4.55 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 74.31 110.926 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.43 21.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 61.51 112.368 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 10.68 17.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.847 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.437 ' HG2' HG22 ' B' ' 404' ' ' THR . 2.7 tt0 -144.91 145.38 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.877 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.723 HG12 HD11 ' A' ' 644' ' ' LEU . 0.0 OUTLIER -142.25 141.92 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 61.02 111.124 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -116.06 99.67 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.774 HD11 HD22 ' B' ' 403' ' ' LEU . 4.8 mt -95.84 109.13 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.18 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -121.23 99.06 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.893 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' B' ' 399' ' ' LEU . 13.9 m-30 -58.13 -20.35 39.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.893 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.32 -31.48 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.7 t -117.48 -24.92 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 62.02 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -55.36 156.97 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.931 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -88.72 163.35 35.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.703 . . . . 55.15 110.902 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' PRO . . . . . 0.4 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.6 Cg_endo -69.76 -30.08 22.85 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.691 2.261 . . . . 53.41 112.324 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -61.63 -52.52 64.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 63.22 110.814 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 51.6 m -64.12 -45.95 86.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 55.13 111.139 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.1 mp -50.41 -57.52 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 43.12 110.944 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -64.19 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.871 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.48 -44.58 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 54.11 110.905 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.72 HD11 HD11 ' A' ' 637' ' ' ILE . 10.4 mt -70.15 -35.5 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.33 110.898 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.53 ' HA ' HG12 ' A' ' 671' ' ' VAL . 13.9 tm-20 -64.04 -33.03 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.901 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.02 110.866 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -83.93 -36.28 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 64.5 110.924 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 1.026 HG23 HD11 ' A' ' 625' ' ' LEU . 4.4 p -75.07 -31.97 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 71.54 111.153 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -79.54 -33.0 42.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.11 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 23.7 t -69.37 -33.14 72.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 55.11 110.855 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 63.9 m -88.49 -50.67 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 72.21 110.914 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.06 -28.08 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.887 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.47 172.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 71.04 110.877 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -168.6 -70.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.917 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.752 0.311 . . . . 72.04 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.682 ' HB3' HD13 ' A' ' 630' ' ' LEU . 5.6 m95 -71.12 155.13 41.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -126.01 167.89 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.901 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.543 HG22 ' CD1' ' B' ' 403' ' ' LEU . 73.2 t -151.7 145.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 74.11 111.134 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.3 117.95 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 54.24 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 172.49 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.874 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.0 -172.51 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.818 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -60.73 -27.96 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 54.53 110.888 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.52 164.62 0.24 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.679 0.752 . . . . 71.15 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -18.57 37.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 72.24 112.373 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.746 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.2 OUTLIER -176.68 57.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 60.55 110.937 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -103.93 101.83 11.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.874 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.638 HG22 ' CD1' ' B' ' 403' ' ' LEU . 1.5 mp -92.31 114.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.3 111.097 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.35 106.32 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.902 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 1.044 HD23 HG22 ' A' ' 634' ' ' VAL . 1.7 mp -99.94 136.1 40.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 61.5 110.916 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.437 HG22 ' HG2' ' A' ' 651' ' ' GLU . 29.5 p -150.32 146.12 26.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.143 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.906 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 74.23 110.869 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 29.4 m -91.4 -74.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 55.52 110.857 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 51.77 35.49 15.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.823 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.35 35.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.44 110.894 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.22 -55.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 43.23 110.838 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -74.15 -35.16 64.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -94.04 18.64 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.921 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 44.2 t -94.54 105.53 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 43.23 110.871 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -98.38 153.39 38.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 63.23 110.827 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.71 48.7 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 71.5 112.383 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 7.2 mmm -132.39 132.37 42.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 73.43 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.66 177.07 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.825 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -62.82 -25.99 68.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 74.45 110.935 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -60.72 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 62.43 110.866 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.76 -25.54 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.03 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -70.77 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.847 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.488 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -48.38 -33.22 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.926 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -71.29 -51.85 22.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 61.34 110.905 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 619' ' ' SER . 0.1 OUTLIER -60.56 -40.59 92.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 54.45 110.989 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.539 ' N ' HD23 ' A' ' 618' ' ' LEU . 53.6 p -51.6 -47.11 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 73.24 110.876 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.02 -44.24 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.926 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.65 -60.41 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 71.24 110.903 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.762 HD13 HG11 ' A' ' 633' ' ' VAL . 87.4 mt -57.83 -35.79 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 75.44 111.159 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 623' ' ' ASN . . . . . 0.422 ' OD1' HG11 ' B' ' 392' ' ' VAL . 4.4 t30 -62.78 -35.71 80.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.2 110.87 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -69.04 -28.61 66.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.894 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.461 HD23 ' HG3' ' A' ' 629' ' ' LYS . 6.4 mp -69.17 161.43 73.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 61.24 110.874 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.39 34.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 72.31 112.275 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.11 -39.68 42.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 31.12 112.502 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -49.83 -39.33 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 72.01 110.871 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 633' ' ' VAL . 30.9 mmmt -70.97 -35.3 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.919 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.905 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -63.71 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.924 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.76 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 52.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -72.69 -49.88 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 74.22 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 622' ' ' ILE . 61.2 t -68.69 -58.55 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 51.44 111.151 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.905 HG11 HD23 ' A' ' 630' ' ' LEU . 10.8 m -46.55 -31.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.108 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -67.55 -46.27 73.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 64.12 110.903 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.27 -45.39 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 75.45 111.112 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 667' ' ' LEU . 2.8 mp -56.2 -60.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.24 111.146 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 638' ' ' GLN . . . . . 0.681 ' HB3' HD11 ' A' ' 652' ' ' ILE . 19.7 pt20 -62.04 -14.79 39.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.14 110.93 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -42.47 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -105.1 -35.27 7.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 53.33 110.845 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.72 ' OE1' HD23 ' A' ' 644' ' ' LEU . 22.6 tt0 -48.84 107.17 0.71 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 72.22 110.906 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 642' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 54.0 Cg_endo -69.76 -43.06 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.262 . . . . 40.44 112.353 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -28.18 67.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 74.42 110.897 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.72 HD23 ' OE1' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -57.04 97.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 63.3 110.948 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -137.14 33.18 2.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.922 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -56.64 136.26 54.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 61.43 110.887 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 10.3 p -57.72 -32.45 67.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.884 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -121.07 136.26 25.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 65.11 110.875 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -13.46 34.67 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.756 2.304 . . . . 42.44 112.398 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 650' ' ' ASP . 0.0 OUTLIER -73.98 -3.29 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 53.34 110.876 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' B' ' 404' ' ' THR . 56.0 tt0 -129.34 138.1 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.865 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.7 OUTLIER -141.51 139.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 74.15 111.129 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -116.43 98.37 6.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 75.43 110.893 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.685 ' CD1' HD23 ' B' ' 403' ' ' LEU . 4.8 mt -98.32 109.94 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 70.41 111.17 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.33 104.9 8.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 62.21 110.924 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.666 ' CE2' HD12 ' B' ' 399' ' ' LEU . 21.7 m-85 -57.58 -27.7 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 71.15 110.873 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -49.21 -32.8 11.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 55.31 110.94 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.5 t -118.74 -23.72 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.05 111.153 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.84 151.38 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.919 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.613 ' O ' HD12 ' A' ' 664' ' ' LEU . 0.8 OUTLIER -88.52 160.78 44.11 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 70.43 110.935 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.35 10.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.707 2.271 . . . . 75.51 112.346 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -53.47 -48.27 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 70.12 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.467 HG21 ' HA ' ' A' ' 637' ' ' ILE . 57.4 m -74.67 -40.77 61.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 75.43 111.083 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 660' ' ' LYS . 0.1 OUTLIER -53.84 -56.64 15.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 53.01 110.934 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -61.55 -35.76 78.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.939 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -50.41 -35.29 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.694 HD13 HD11 ' A' ' 637' ' ' ILE . 1.4 mt -75.06 -49.78 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 74.12 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.421 ' HA ' HG12 ' A' ' 671' ' ' VAL . 16.7 tt0 -55.84 -26.54 47.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.857 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.79 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 64.32 110.913 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -77.25 -39.62 47.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.954 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 668' ' ' GLU . 8.6 p -67.24 -31.47 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.151 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 82.7 m -74.36 -33.32 63.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 65.14 111.099 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.3 t -64.98 -35.91 82.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.01 110.816 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 1.7 t -88.56 -43.97 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 62.33 110.89 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.66 -28.01 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.905 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 69.42 -75.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.823 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.25 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 75.32 110.954 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 11.7 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 74.24 110.862 179.84 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.757 0.313 . . . . 74.44 111.143 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.796 ' HB3' HD22 ' A' ' 630' ' ' LEU . 12.2 m95 -92.05 155.05 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 74.41 110.905 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -125.51 169.96 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.867 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.49 HG23 ' CG2' ' B' ' 401' ' ' ILE . 7.6 p -135.52 147.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 60.15 111.191 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -168.14 119.46 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 71.45 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.09 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 64.23 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.09 -174.53 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 54.45 110.871 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.11 -31.14 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 54.25 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.415 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.5 OUTLIER -47.43 164.56 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 72.44 110.955 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.724 2.282 . . . . 74.43 112.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.666 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -178.59 59.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 71.53 110.909 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 18.3 ttmt -107.2 104.45 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.937 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.49 ' CG2' HG23 ' B' ' 392' ' ' VAL . 1.6 mp -89.04 109.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 74.34 111.142 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.03 105.4 17.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.889 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.685 HD23 ' CD1' ' A' ' 654' ' ' ILE . 2.4 mm? -102.4 142.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 54.31 110.943 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 651' ' ' GLU . 35.9 p -147.77 144.07 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 71.51 111.16 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 63.23 110.869 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.349 . . . . 71.54 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.16 -67.04 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.45 110.825 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 52.04 44.64 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.13 110.832 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -163.78 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 61.11 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -52.67 -36.24 56.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 75.02 110.865 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -70.13 -35.17 73.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 73.12 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -69.23 -30.42 68.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.969 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 73.0 m -80.61 106.24 12.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 70.03 110.887 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -88.81 153.38 49.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 75.43 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.6 Cg_endo -69.72 152.47 69.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 51.1 112.389 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.684 ' HB2' HD23 ' A' ' 664' ' ' LEU . 66.8 mmm -120.57 131.52 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.54 110.803 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.92 170.49 9.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 51.04 110.852 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -60.55 -29.31 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.909 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -57.35 -63.15 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 75.31 110.935 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -67.13 -31.29 71.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.589 ' HE3' HD21 ' A' ' 664' ' ' LEU . 10.1 mtpt -64.49 -46.76 81.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.806 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -57.06 -30.21 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.804 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 617' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 7.4 tm0? -68.43 -36.01 78.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.897 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.79 -43.0 97.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.921 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -45.09 92.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 71.11 110.861 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.73 -55.31 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 73.32 110.902 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 621' ' ' ASP . . . . . 0.57 ' HB3' HG21 ' A' ' 671' ' ' VAL . 1.5 t0 -51.87 -60.95 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.851 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.5 -47.78 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.154 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.14 -36.08 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.21 110.893 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -76.05 -28.61 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.917 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.797 HD22 HG23 ' A' ' 671' ' ' VAL . 3.5 mp -60.96 159.79 24.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 70.31 110.917 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 164.43 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.615 2.21 . . . . 61.11 112.271 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.41 -55.51 19.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 53.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -50.08 -37.0 31.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 75.03 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -65.54 -40.34 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 71.42 110.906 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -67.29 -43.42 81.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.937 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.57 -43.81 36.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.736 . . . . 22.45 112.464 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.04 -46.9 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 54.52 110.844 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 629' ' ' LYS . 66.6 t -56.89 -55.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 63.01 111.116 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 1.002 HG22 HD23 ' B' ' 403' ' ' LEU . 21.8 t -52.07 -34.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 75.51 111.139 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 635' ' ' HIS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 638' ' ' GLN . 12.3 t60 -62.35 -33.07 74.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.84 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.3 mt -76.08 -33.23 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 71.45 111.197 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.702 HD11 HD13 ' A' ' 667' ' ' LEU . 57.0 mt -77.16 -44.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.161 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 638' ' ' GLN . . . . . 0.622 ' O ' HD22 ' A' ' 644' ' ' LEU . 16.6 pt20 -72.26 -14.4 61.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 62.54 110.913 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 3.9 m -87.36 -31.38 20.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.834 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.33 -33.61 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.919 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.21 110.97 2.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.665 0.745 . . . . 63.53 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -42.62 3.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 72.04 112.286 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 70.3 m -55.27 -35.55 65.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 70.22 110.899 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 638' ' ' GLN . 1.4 tt -62.44 93.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.925 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -129.5 35.54 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.904 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -98.51 153.66 18.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 45.31 110.834 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 4.6 p -87.21 7.37 28.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 52.32 110.819 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' ASN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 649' ' ' PRO . 25.5 t-20 -107.73 93.52 10.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 73.13 110.935 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 649' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 648' ' ' ASN . 52.9 Cg_endo -69.71 -6.95 19.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 72.34 112.333 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 7.63 23.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.85 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' B' ' 404' ' ' THR . 7.1 tt0 -145.15 141.14 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.487 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.21 143.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.138 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 99.09 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.903 HD11 HD22 ' B' ' 403' ' ' LEU . 16.0 mt -89.9 109.07 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 71.35 111.149 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -116.08 89.26 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 70.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.605 ' CE2' HD12 ' B' ' 399' ' ' LEU . 4.0 m-30 -51.18 -28.07 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.792 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.36 -31.47 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 63.04 110.889 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.2 t -114.67 -20.85 10.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 62.32 111.169 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.713 HD23 ' CD1' ' A' ' 664' ' ' LEU . 5.2 tp -55.37 145.2 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 72.43 110.881 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 162.66 38.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 74.41 110.922 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 661' ' ' PRO . . . . . 0.407 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.2 Cg_endo -69.77 -34.78 13.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.601 2.2 . . . . 71.41 112.349 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -55.56 -43.81 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.824 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 7.1 m -78.31 -37.87 43.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.43 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.713 ' CD1' HD23 ' A' ' 659' ' ' LEU . 1.1 mp -53.23 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 44.2 110.871 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -61.71 -34.44 75.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.886 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.57 -38.36 31.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.866 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.702 HD13 HD11 ' A' ' 637' ' ' ILE . 1.3 mt -73.62 -47.6 38.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.13 110.891 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -52.68 -29.63 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 71.4 110.945 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -36.83 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.86 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -44.63 34.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 61.2 110.863 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.797 HG23 HD22 ' A' ' 625' ' ' LEU . 8.5 p -60.15 -32.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 63.32 111.08 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.5 m -75.71 -33.54 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.3 111.182 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -35.69 73.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.41 110.827 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 63.6 m -82.4 -50.37 8.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 63.02 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.737 HD23 ' CD1' ' A' ' 625' ' ' LEU . 0.5 OUTLIER -68.43 -28.72 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.905 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.33 176.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 52.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? 69.21 -75.17 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.912 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 64.41 110.958 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.756 0.312 . . . . 70.33 111.11 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.677 ' HB3' HD22 ' A' ' 630' ' ' LEU . 5.8 m95 -76.18 152.27 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 64.5 110.895 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.23 167.68 13.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.776 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.626 HG13 HD12 ' B' ' 403' ' ' LEU . 85.7 t -150.88 146.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 70.5 111.156 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -147.1 110.31 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.949 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 176.94 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 70.14 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -140.21 -168.97 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.845 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -69.79 -27.67 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.906 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.421 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -47.12 163.87 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.722 . . . . 71.34 110.87 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -18.66 36.95 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 62.13 112.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.806 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.2 OUTLIER -173.43 58.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.94 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 25.9 ttmt -112.16 123.18 49.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.906 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.685 HD12 ' HB ' ' A' ' 654' ' ' ILE . 0.2 OUTLIER -128.28 118.29 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.15 111.129 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.16 106.37 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.874 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 1.002 HD23 HG22 ' A' ' 634' ' ' VAL . 3.0 mp -94.24 134.38 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.942 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 651' ' ' GLU . 20.7 p -146.65 148.09 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 63.22 111.116 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.877 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 75.44 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.76 105.04 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.863 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.37 -36.74 79.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 62.3 110.945 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -92.95 48.29 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 73.14 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -96.66 -36.08 10.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 74.14 110.856 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -57.15 -35.18 69.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.466 . . . . 63.43 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -30.54 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.856 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 33.3 m -77.1 106.23 8.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 70.4 110.838 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -97.57 156.34 36.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 51.11 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.64 68.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 71.42 112.38 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.452 ' HB2' HD23 ' A' ' 664' ' ' LEU . 60.2 mmm -118.44 109.0 15.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.873 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.1 t -72.02 167.5 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.32 110.902 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 15.4 p90 -53.79 -27.98 32.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.913 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.76 -61.98 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 71.15 110.921 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.58 -32.06 72.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 75.45 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 612' ' ' TYR . 2.5 mtpt -62.81 -54.82 33.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.849 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.672 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.57 -31.24 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 71.11 110.889 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -65.1 -39.18 92.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.24 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.625 HD11 ' CA ' ' A' ' 668' ' ' GLU . 4.2 mm? -64.86 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 61.51 110.952 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -51.45 68.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 61.33 110.839 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.95 -53.17 13.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -50.64 -53.97 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 64.2 110.883 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.81 -27.73 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 63.11 111.14 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -87.87 -0.72 57.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -100.68 -29.61 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 63.01 110.869 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.827 HD22 ' HB3' ' A' ' 629' ' ' LYS . 1.5 pp -70.49 157.74 89.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 65.14 110.911 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 626' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 625' ' ' LEU . 53.4 Cg_endo -69.82 163.71 37.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 74.24 112.304 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.65 -45.19 47.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 63.14 112.55 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.54 -39.96 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 70.43 110.886 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.827 ' HB3' HD22 ' A' ' 625' ' ' LEU . 28.3 mmmt -67.74 -38.35 83.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.869 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.85 HD23 HG11 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -55.17 -60.64 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.887 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.7 -36.3 8.16 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.749 -0.738 . . . . 72.42 112.459 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.93 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 74.41 110.825 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.543 HG13 HD12 ' A' ' 667' ' ' LEU . 98.9 t -66.11 -57.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.176 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 1.015 HG12 HD23 ' B' ' 403' ' ' LEU . 9.0 m -48.6 -33.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 71.32 111.114 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.67 -42.16 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.824 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.6 mt -53.53 -51.53 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 60.11 111.089 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.442 HD11 ' HG ' ' A' ' 667' ' ' LEU . 1.5 mp -51.22 -64.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.144 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 638' ' ' GLN . . . . . 0.532 ' HB3' HD11 ' A' ' 652' ' ' ILE . 14.8 pt20 -55.43 -22.43 20.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 71.14 110.855 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.64 75.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.32 110.862 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -121.04 17.77 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.813 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 642' ' ' PRO . 8.4 tp10 -110.13 92.41 13.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.679 0.752 . . . . 63.14 110.899 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 642' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 53.3 Cg_endo -69.92 -37.76 8.35 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.649 2.233 . . . . 43.55 112.318 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -32.37 58.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 75.43 110.83 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 644' ' ' LEU . 0.5 OUTLIER -51.43 101.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 65.22 110.932 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -108.33 35.62 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 63.1 110.943 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -71.99 114.17 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 54.24 110.931 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 87.8 p -57.61 -32.03 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.893 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -108.26 136.66 19.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.589 0.709 . . . . 64.04 110.903 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.19 20.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 75.1 112.369 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -93.29 23.72 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.845 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -145.44 136.61 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 55.42 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.1 OUTLIER -141.79 141.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 63.42 111.124 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -124.23 98.43 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 62.11 110.832 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.738 ' CD1' HD22 ' B' ' 403' ' ' LEU . 2.2 mp -92.79 109.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.42 111.145 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -124.01 95.62 4.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 71.05 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.778 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.4 m-30 -53.68 -25.51 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.91 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -34.77 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.908 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -117.27 -22.66 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 75.14 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -55.2 160.44 2.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.926 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.41 ' HB2' ' HD2' ' A' ' 661' ' ' PRO . 0.0 OUTLIER -88.91 156.8 49.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 61.2 110.912 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 661' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 660' ' ' LYS . 53.5 Cg_endo -69.74 -30.81 21.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.617 2.211 . . . . 71.43 112.452 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -42.8 99.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 62.23 110.863 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.746 ' O ' HD22 ' A' ' 667' ' ' LEU . 7.8 m -73.45 -47.49 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 64.02 111.144 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.623 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.0 mp -46.2 -54.83 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.958 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.31 -32.83 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.0 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.9 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.746 HD22 ' O ' ' A' ' 663' ' ' THR . 0.3 OUTLIER -52.43 -47.58 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 64.43 110.908 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.625 ' CA ' HD11 ' A' ' 618' ' ' LEU . 30.2 tt0 -51.68 -38.13 53.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 53.52 110.833 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -62.6 -35.22 78.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.819 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.17 -52.86 6.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.935 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.728 HG23 HD23 ' A' ' 625' ' ' LEU . 2.9 p -56.52 -31.21 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 61.43 111.112 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 68.2 m -78.83 -32.32 46.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.1 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.5 t -68.35 -34.05 75.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.913 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 18.2 t -88.84 -50.37 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 52.12 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 12.5 tp -66.49 -28.11 68.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 62.21 110.888 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 72.28 -68.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.819 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.99 84.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.34 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.858 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.766 0.317 . . . . 75.21 111.165 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.74 ' HB3' HD22 ' A' ' 630' ' ' LEU . 8.8 m95 -92.46 160.51 15.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.55 110.884 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -120.43 172.04 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.736 HG23 HD11 ' B' ' 403' ' ' LEU . 9.1 p -143.83 147.17 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 64.31 111.146 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -165.84 123.86 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.13 172.3 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 71.23 110.825 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -133.02 -171.86 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.895 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.55 -27.32 69.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.1 m-80 -47.31 164.75 0.23 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 74.21 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -16.76 37.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 54.41 112.348 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.778 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -179.48 58.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 53.41 110.933 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 27.0 ttmt -107.14 112.37 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.877 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.635 HG22 ' CD1' ' B' ' 403' ' ' LEU . 1.7 mp -101.96 114.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 72.43 111.171 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 105.03 17.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 63.35 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 1.015 HD23 HG12 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -102.96 139.06 39.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.889 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.0 p -151.01 145.65 25.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 72.13 111.162 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.6 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.929 0.395 . . . . 72.23 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 14.4 m -65.54 -72.82 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 55.03 110.785 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 53.77 47.74 22.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 54.31 110.879 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.84 -41.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 71.3 110.906 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.47 -36.48 76.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 73.25 110.832 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -55.48 -35.21 65.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 73.12 110.848 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -80.78 -30.47 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.876 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 99.4 m -77.95 107.63 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.45 110.878 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.09 155.8 40.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 62.41 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.07 47.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 32.42 112.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 52.3 mmm -119.1 107.0 12.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.03 110.88 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 12.5 m -59.36 155.67 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.53 -35.69 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 74.03 110.933 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.34 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.886 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -59.44 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 71.22 110.901 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 0.6 OUTLIER -60.37 -33.64 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.867 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.758 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -51.16 -40.55 58.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 75.12 110.838 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -73.31 -31.86 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 73.55 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 668' ' ' GLU . 4.4 mp -63.92 -46.47 84.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.953 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.564 ' OG ' HD11 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -57.1 -50.45 72.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.844 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -56.05 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.974 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 621' ' ' ASP . . . . . 0.441 ' OD2' HG22 ' A' ' 671' ' ' VAL . 38.2 t0 -50.57 -58.04 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 63.52 110.853 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.695 HD13 HG11 ' A' ' 633' ' ' VAL . 71.8 mt -57.78 -35.8 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.42 111.088 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -66.35 -41.45 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -28.61 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.02 110.939 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 622' ' ' ILE . 24.3 mt -57.49 159.74 8.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.12 110.928 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 164.26 35.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.763 2.309 . . . . 74.12 112.356 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 627' ' ' GLY . . . . . 0.501 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.21 -55.79 17.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 65.24 112.511 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.57 -38.49 31.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 75.14 110.89 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.7 mmtm -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.1 110.911 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.832 HD21 HD12 ' B' ' 403' ' ' LEU . 0.5 OUTLIER -70.52 -47.87 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.94 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.22 -43.66 9.6 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.76 -0.733 . . . . 51.45 112.524 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -67.06 -47.15 72.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 65.31 110.818 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.772 HG13 HD12 ' A' ' 667' ' ' LEU . 38.1 t -59.87 -59.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 74.14 111.123 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.596 HG22 ' HG ' ' B' ' 403' ' ' LEU . 11.0 t -51.9 -33.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.143 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 635' ' ' HIS . . . . . 0.47 ' HA ' ' HG2' ' A' ' 638' ' ' GLN . 33.4 t60 -63.87 -29.16 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 71.02 110.9 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.749 ' HB ' HD11 ' A' ' 667' ' ' LEU . 0.9 OUTLIER -75.78 -38.48 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 70.11 111.118 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.727 HD11 ' HG ' ' A' ' 667' ' ' LEU . 4.2 mp -73.36 -46.35 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 64.54 111.158 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 638' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 635' ' ' HIS . 4.7 pt20 -67.71 -19.55 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.917 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 52.2 m -95.56 -35.76 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.851 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -80.63 -32.8 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.31 110.872 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -78.85 113.69 37.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.689 0.756 . . . . 64.31 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.76 10.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.278 . . . . 62.11 112.337 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 3.1 t -67.02 -35.48 79.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 64.42 110.825 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.636 HD21 ' H ' ' A' ' 653' ' ' GLU . 0.3 OUTLIER -51.92 102.69 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.942 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -147.66 41.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 74.13 110.867 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.35 149.95 3.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 53.51 110.853 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 67.0 p -57.99 -34.79 70.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 45.01 110.832 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -118.24 136.4 23.92 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 74.42 110.901 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -7.18 20.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 64.2 112.356 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.94 20.58 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 73.31 110.854 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.456 ' HA ' HG22 ' B' ' 404' ' ' THR . 32.4 tt0 -147.83 136.52 21.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.882 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.576 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.1 142.38 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 70.25 111.133 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.636 ' H ' HD21 ' A' ' 644' ' ' LEU . 42.9 tt0 -117.0 98.17 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.897 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.837 HD12 HD23 ' B' ' 403' ' ' LEU . 14.4 mt -91.48 109.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 60.24 111.1 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -122.83 94.67 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 72.31 110.914 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.704 ' CG ' HD21 ' A' ' 664' ' ' LEU . 22.2 m-85 -57.39 -28.34 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 72.43 110.913 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -51.2 -31.79 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 70.44 110.872 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.4 t -118.29 -23.52 7.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.15 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.3 160.28 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 65.11 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.563 ' O ' HD12 ' A' ' 664' ' ' LEU . 28.4 mttt -88.34 158.24 49.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.525 0.679 . . . . 62.25 110.862 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.88 7.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.604 2.203 . . . . 70.35 112.335 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -51.56 -45.66 63.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.506 ' O ' HD22 ' A' ' 667' ' ' LEU . 25.0 m -73.88 -51.1 17.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 75.42 111.094 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.704 HD21 ' CG ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -47.06 -47.97 22.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.89 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 64.22 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -51.96 -50.03 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.772 HD12 HG13 ' A' ' 633' ' ' VAL . 1.9 mm? -66.58 -35.09 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.814 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.796 ' HB2' HD21 ' A' ' 618' ' ' LEU . 28.9 tt0 -60.21 -29.9 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 74.12 110.873 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -35.65 58.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.35 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.27 -40.6 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.1 110.938 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.441 HG22 ' OD2' ' A' ' 621' ' ' ASP . 7.3 p -66.17 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 34.5 111.14 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.2 m -78.39 -28.19 46.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 42.31 111.115 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 43.9 t -71.76 -34.26 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 54.32 110.835 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 34.8 t -88.49 -51.0 5.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 61.23 110.946 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 675' ' ' LEU . 0.2 OUTLIER -70.17 -28.15 65.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 65.54 110.839 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.65 -75.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 74.51 110.82 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.13 137.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 54.45 110.91 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 9.3 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.926 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 389' ' ' THR . . . . . 0.501 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.876 0.369 . . . . 71.31 111.124 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.486 ' HB3' HD22 ' A' ' 630' ' ' LEU . 6.5 m95 -85.7 172.34 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.887 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.34 165.1 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.834 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.42 HG23 HD22 ' B' ' 403' ' ' LEU . 3.0 p -135.01 148.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 42.41 111.137 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -136.39 96.27 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.922 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 157.39 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 54.22 110.849 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.1 t -129.69 -178.29 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.41 110.887 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -57.39 -25.09 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -45.99 162.33 0.24 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.72 . . . . 74.34 110.92 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -20.79 34.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.744 2.296 . . . . 53.15 112.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.758 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -175.49 60.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.955 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -112.56 117.7 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.815 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -118.77 109.86 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.32 111.188 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -84.29 101.21 11.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 64.53 110.835 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.837 HD23 HD12 ' A' ' 654' ' ' ILE . 3.3 mm? -84.85 137.38 33.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 65.43 110.928 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 651' ' ' GLU . 19.0 p -147.92 143.9 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.43 111.173 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.891 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.86 0.362 . . . . 75.15 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.36 122.59 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 62.21 110.869 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -35.71 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 61.32 110.882 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -94.48 50.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -113.38 -34.36 5.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 71.11 110.827 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.37 -35.13 18.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.816 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.46 18.63 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 63.44 110.929 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.8 p -51.98 108.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -90.65 154.67 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 54.35 110.813 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 159.95 51.46 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.663 2.242 . . . . 50.24 112.294 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.683 ' HB3' HD22 ' A' ' 664' ' ' LEU . 23.7 mmm -141.98 128.65 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.906 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.77 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 52.33 110.866 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -50.93 -35.35 32.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.911 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.28 -33.31 58.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.32 110.903 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -62.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.878 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.745 ' HG2' HD21 ' A' ' 664' ' ' LEU . 25.6 mmmt -61.92 -28.89 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.21 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.927 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -73.04 -33.9 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.926 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 668' ' ' GLU . 0.8 OUTLIER -61.34 -38.13 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.915 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -45.61 80.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 61.44 110.872 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -54.93 40.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 75.15 110.893 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 621' ' ' ASP . . . . . 0.414 ' HB3' HD12 ' A' ' 675' ' ' LEU . 79.8 m-20 -51.89 -53.79 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.875 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.94 HD13 HG11 ' A' ' 633' ' ' VAL . 59.8 mt -62.03 -37.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 62.43 111.129 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -64.69 -41.28 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 73.32 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -28.39 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.907 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.631 HD13 ' HE3' ' A' ' 629' ' ' LYS . 24.3 mt -66.84 160.09 71.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.696 0.76 . . . . 73.23 110.851 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 164.42 34.63 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.665 2.244 . . . . 54.25 112.358 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.67 -39.54 38.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 62.01 112.482 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -49.73 -38.79 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 74.13 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.634 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.1 OUTLIER -72.48 -45.67 58.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 64.44 110.866 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.775 HD23 HG11 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -58.57 -55.57 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 72.42 110.89 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.37 -40.65 11.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 71.53 112.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -76.62 -45.88 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 65.14 110.837 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.94 HG11 HD13 ' A' ' 622' ' ' ILE . 90.4 t -64.42 -63.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.13 111.111 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.775 HG11 HD23 ' A' ' 630' ' ' LEU . 10.9 m -50.31 -29.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.43 111.13 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -64.99 -35.11 80.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 65.44 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.71 -46.26 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 654' ' ' ILE . 2.4 mp -50.81 -61.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.167 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 638' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 644' ' ' LEU . 11.3 pt20 -51.48 -29.45 16.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 51.22 110.953 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 t -64.52 -33.04 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.24 110.84 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -120.25 19.23 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 644' ' ' LEU . 5.6 tt0 -106.87 92.45 7.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 75.01 110.905 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 642' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 52.7 Cg_endo -69.8 -37.49 9.0 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 62.11 112.255 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 8.1 t -55.3 -34.85 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.857 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.845 HD11 HG12 ' A' ' 652' ' ' ILE . 2.5 mt -50.04 -76.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 73.11 110.923 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt 48.69 85.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 71.11 110.868 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -163.51 147.27 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 71.1 110.877 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.58 8.36 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.24 110.776 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 648' ' ' ASN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 649' ' ' PRO . 25.5 t-20 -107.56 91.89 7.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 51.23 110.854 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 649' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 648' ' ' ASN . 53.7 Cg_endo -69.76 -7.92 22.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 73.33 112.378 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.6 1.71 32.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 61.25 110.909 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.415 ' HG2' HG22 ' B' ' 404' ' ' THR . 0.9 OUTLIER -142.83 139.91 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.91 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.845 HG12 HD11 ' A' ' 644' ' ' LEU . 1.1 tt -142.05 144.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 73.01 111.129 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -119.94 96.7 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 70.53 110.933 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.749 ' CG2' HD11 ' A' ' 659' ' ' LEU . 8.5 mt -85.97 112.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 62.51 111.084 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.53 114.93 17.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.41 110.839 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.574 ' HA ' HD12 ' A' ' 659' ' ' LEU . 0.1 OUTLIER -55.03 -31.34 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.941 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.16 -17.82 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 72.01 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.0 p -118.68 -26.85 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.125 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.749 HD11 ' CG2' ' A' ' 654' ' ' ILE . 13.6 mt -58.99 135.67 57.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.02 110.936 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 165.24 25.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.536 0.684 . . . . 73.2 110.91 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.28 33.84 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.677 2.251 . . . . 73.31 112.331 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.67 -44.62 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 64.52 110.849 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.6 m -58.48 -55.41 35.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.193 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.745 HD21 ' HG2' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -50.73 -49.53 57.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 70.31 110.898 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -31.71 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.863 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -76.0 -38.86 56.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.891 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.554 HD13 HD11 ' A' ' 637' ' ' ILE . 4.9 mt -65.12 -59.95 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 72.21 110.941 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 618' ' ' LEU . 0.2 OUTLIER -52.64 -34.32 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 62.52 110.896 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -62.77 -33.82 75.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 73.21 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.73 -52.93 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.899 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.1 p -58.06 -31.22 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 74.32 111.173 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 89.5 m -79.81 -29.72 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 64.43 111.129 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 52.9 p -71.52 -33.5 69.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 60.34 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -51.1 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 71.32 110.915 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 675' ' ' LEU . 1.3 tt -69.63 -28.31 65.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.926 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.6 46.18 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 71.4 110.854 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -158.78 155.02 27.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.932 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 63.14 110.889 179.86 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.727 0.299 . . . . 64.24 111.114 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.513 ' HB3' HD22 ' A' ' 630' ' ' LEU . 10.9 m95 -93.13 155.61 17.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.927 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -125.75 160.47 29.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.482 HG23 ' CG2' ' B' ' 401' ' ' ILE . 7.2 p -129.3 126.55 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.177 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -138.72 97.11 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 65.32 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 175.77 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.928 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.9 t -136.07 -177.54 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.853 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -22.79 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.927 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.04 164.02 0.21 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 72.02 110.934 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.48 37.53 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 74.04 112.324 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.429 ' HG ' ' HB2' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -177.33 58.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.889 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -108.04 129.25 55.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.901 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.482 ' CG2' HG23 ' B' ' 392' ' ' VAL . 1.0 OUTLIER -123.6 116.4 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.53 111.171 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.84 98.34 11.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.895 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.585 HD23 ' CD1' ' A' ' 654' ' ' ILE . 1.6 mm? -97.95 135.12 40.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.959 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 651' ' ' GLU . 12.1 p -142.49 145.56 33.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.108 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.934 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.857 0.361 . . . . 73.14 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.38 -74.6 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 65.13 110.82 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 51.74 35.47 15.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 64.23 110.895 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.45 35.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.953 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.35 -40.48 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 70.02 110.886 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -89.41 -35.25 16.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 41.51 110.834 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -99.46 18.58 17.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.268 -0.423 . . . . 64.24 110.909 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 7.9 p -51.74 116.76 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.875 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -97.59 153.48 38.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 73.41 110.93 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.09 47.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.26 . . . . 55.32 112.391 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.413 ' HB2' HD23 ' A' ' 664' ' ' LEU . 41.5 mmm -127.83 107.27 9.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 65.15 110.896 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.6 169.85 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 70.1 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.47 -26.74 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.88 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.9 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 55.13 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.45 -23.92 67.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 63.22 110.895 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.404 ' HE3' HD23 ' A' ' 664' ' ' LEU . 5.8 mmtt -74.36 -49.22 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 53.2 110.867 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -32.05 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.858 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -74.93 -48.03 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.955 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 619' ' ' SER . 0.0 OUTLIER -57.35 -39.76 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.2 110.98 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.636 ' N ' HD23 ' A' ' 618' ' ' LEU . 0.5 OUTLIER -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 41.04 110.882 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.55 -50.77 23.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 64.31 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.62 -52.11 50.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 62.24 110.878 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.85 HD13 HG11 ' A' ' 633' ' ' VAL . 63.2 mt -67.41 -33.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.156 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 623' ' ' ASN . . . . . 0.524 ' OD1' HG11 ' B' ' 392' ' ' VAL . 3.8 t30 -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.931 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -73.14 -28.64 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.895 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.655 HD13 ' CD ' ' A' ' 629' ' ' LYS . 24.4 mt -61.97 159.96 32.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 74.22 110.947 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 164.61 33.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 44.34 112.414 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.97 -40.56 43.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 62.52 112.488 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.5 -39.02 32.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 73.51 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.4 mmpt? -71.36 -38.08 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.968 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.85 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -60.01 -65.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.878 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.86 -35.42 3.27 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.76 -0.733 . . . . 75.55 112.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -73.75 -50.78 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 72.32 110.914 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.85 HG11 HD13 ' A' ' 622' ' ' ILE . 40.1 t -68.49 -58.76 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.53 111.133 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.85 HG11 HD23 ' A' ' 630' ' ' LEU . 15.9 m -46.97 -32.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 54.31 111.079 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -67.46 -43.05 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.21 110.829 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.84 -50.71 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 75.12 111.116 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 654' ' ' ILE . 4.0 mp -50.95 -66.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 44.01 111.135 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 638' ' ' GLN . . . . . 0.6 ' HB3' HD11 ' A' ' 652' ' ' ILE . 16.9 pt20 -52.33 -26.44 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 55.11 110.837 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -32.4 74.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 63.24 110.884 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.28 17.12 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.852 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -98.27 115.21 65.81 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 75.11 110.878 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -34.85 13.71 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 54.52 112.319 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 33.1 t -70.93 -30.11 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 65.32 110.866 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 61.43 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 62.55 110.902 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -94.51 36.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 62.2 110.93 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -106.53 143.17 35.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.844 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 3.5 p -88.27 8.03 29.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 42.54 110.866 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -105.02 97.79 14.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 61.33 110.855 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -10.19 27.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 73.42 112.335 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.48 -0.96 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.825 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.685 ' HA ' HG22 ' B' ' 404' ' ' THR . 2.2 tm-20 -145.03 115.84 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 70.52 110.895 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.6 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.2 OUTLIER -129.93 141.63 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 73.23 111.118 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -121.81 97.65 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.923 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 637' ' ' ILE . 11.0 mm -85.57 110.21 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 70.32 111.184 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -128.06 103.29 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.618 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.6 m-30 -61.58 -27.42 68.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 62.31 110.83 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.38 -29.98 17.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 73.23 110.882 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -117.35 -26.58 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 71.31 111.095 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.51 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -57.25 154.06 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.22 110.921 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.51 ' H ' HD13 ' A' ' 659' ' ' LEU . 5.7 mtmt -88.41 161.02 43.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.609 0.719 . . . . 75.12 110.89 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -35.22 13.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 75.33 112.304 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.19 -49.14 72.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.34 110.804 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' ' 637' ' ' ILE . 25.6 m -68.92 -47.95 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 64.21 111.139 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.5 mp -50.76 -51.05 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.89 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -34.94 79.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 71.51 110.837 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -41.94 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 65.33 110.891 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.623 ' CD1' HD11 ' A' ' 637' ' ' ILE . 5.8 mt -64.07 -49.68 71.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 65.23 110.907 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 671' ' ' VAL . 15.1 tt0 -53.73 -30.94 46.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.809 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.83 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.878 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -80.03 -36.15 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 74.11 110.905 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.522 HG22 HD13 ' A' ' 675' ' ' LEU . 5.0 p -78.18 -36.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.41 111.113 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 10.0 t -66.2 -32.62 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.7 t -73.6 -35.61 65.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.86 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 4.9 t -79.24 -50.32 11.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 61.31 110.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 671' ' ' VAL . 0.1 OUTLIER -71.96 -27.94 63.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 61.15 110.904 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 56.36 76.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 71.45 110.885 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.68 -72.9 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 64.12 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.958 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.823 0.344 . . . . 75.33 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 630' ' ' LEU . 13.4 m95 -84.32 165.6 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.13 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -143.68 171.16 14.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.867 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.554 HG23 HG22 ' B' ' 401' ' ' ILE . 10.9 p -134.22 148.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 64.15 111.15 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -164.23 94.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.864 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 t -135.16 -169.53 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 51.41 110.83 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -66.83 -27.65 67.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.966 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -46.94 163.63 0.24 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 62.24 110.883 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -20.55 34.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 73.04 112.396 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.618 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -172.57 58.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.912 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 31.1 ttmt -110.48 120.68 43.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.928 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.554 HG22 HG23 ' B' ' 392' ' ' VAL . 0.6 OUTLIER -108.11 116.12 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 70.22 111.102 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.21 99.45 11.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.855 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.513 HD23 HG13 ' A' ' 654' ' ' ILE . 2.2 mm? -99.17 143.24 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.43 110.908 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.685 HG22 ' HA ' ' A' ' 651' ' ' GLU . 81.8 p -145.94 142.16 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.23 111.145 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.438 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 3.7 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.853 0.358 . . . . 74.1 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.93 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.856 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 58.06 52.03 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 64.14 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -174.18 -41.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 65.14 110.948 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 26.9 pt-20 -62.0 -36.33 81.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.42 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -81.91 -35.06 29.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -93.87 18.68 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 10.7 p -51.75 121.41 6.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 63.35 110.91 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -92.07 153.54 43.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 71.35 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' PRO . . . . . 0.405 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.8 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 75.33 112.33 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.713 ' HB2' HD23 ' A' ' 664' ' ' LEU . 4.8 mmm -125.9 130.88 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.871 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.67 162.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 60.52 110.933 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -57.94 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.998 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.94 -62.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 75.33 110.929 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.28 -33.65 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 64.23 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.436 ' HD3' HD21 ' A' ' 664' ' ' LEU . 18.7 mtmt -63.76 -50.25 69.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.858 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.778 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -53.15 -29.19 29.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.899 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -71.96 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.935 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' A' ' 668' ' ' GLU . 3.4 mp -68.32 -46.56 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 63.13 110.947 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.8 t -55.61 -44.1 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.84 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.15 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.958 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 625' ' ' LEU . 43.1 t0 -50.13 -61.79 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.863 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 67.2 mt -50.66 -38.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.131 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -65.98 -34.24 77.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 63.51 110.881 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -70.3 -29.23 65.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.911 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 626' ' ' PRO . 4.4 mm? -68.21 160.62 74.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.618 0.723 . . . . 65.0 110.949 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 626' ' ' PRO . . . . . 0.427 ' HD2' HD12 ' A' ' 625' ' ' LEU . 53.2 Cg_endo -69.79 164.48 34.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 44.11 112.326 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.06 48.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.712 . . . . 34.14 112.479 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -49.59 -39.7 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 63.13 110.88 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.497 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -68.76 -42.05 78.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 63.4 110.915 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.765 HD21 ' HG ' ' B' ' 403' ' ' LEU . 2.4 tt -66.86 -39.87 87.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 64.11 110.926 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -52.59 -40.18 54.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 61.43 112.504 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -71.27 -36.66 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 73.53 110.929 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 629' ' ' LYS . 59.8 t -62.83 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.147 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.715 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 3.2 p -50.97 -34.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.147 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -62.8 -33.7 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.91 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.87 -53.84 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 52.33 111.162 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.536 ' H ' HD12 ' A' ' 637' ' ' ILE . 4.4 mp -55.18 -51.55 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 61.4 111.151 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -66.99 -13.94 62.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.947 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -88.92 -48.46 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.84 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.45 -30.05 42.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.823 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -95.47 106.23 25.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 63.02 110.928 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -42.84 2.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 61.35 112.373 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 29.0 t -54.71 -33.98 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 65.11 110.913 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' A' ' 653' ' ' GLU . 0.0 OUTLIER -90.8 45.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.953 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -86.03 -77.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.899 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.89 170.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 71.04 110.901 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.78 7.47 46.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.831 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -121.86 90.76 48.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.629 0.728 . . . . 74.24 110.926 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.45 23.62 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.707 2.271 . . . . 60.44 112.324 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -3.23 39.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 74.13 110.911 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.407 ' HA ' HG22 ' B' ' 404' ' ' THR . 32.4 tt0 -138.66 134.44 33.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.579 HG21 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.77 144.13 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 42.21 111.091 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.473 ' CB ' HD21 ' A' ' 644' ' ' LEU . 6.6 tt0 -115.0 99.04 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.916 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.828 HD11 HD22 ' B' ' 403' ' ' LEU . 9.0 mt -95.34 108.49 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 52.53 111.146 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -125.94 96.99 4.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 64.41 110.888 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.757 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.7 m-30 -56.16 -22.98 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 63.52 110.839 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -56.53 -32.54 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -119.05 -24.7 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 65.23 111.191 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 158.84 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.958 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -88.94 162.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.522 0.677 . . . . 73.13 110.963 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' PRO . . . . . 0.405 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.7 Cg_endo -69.74 -31.31 20.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.242 . . . . 54.23 112.332 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -60.04 -49.2 78.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 14.2 m -71.19 -35.7 71.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.35 111.09 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.713 HD23 ' HB2' ' A' ' 610' ' ' MET . 2.0 mp -56.84 -60.66 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.55 110.895 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -58.47 -34.21 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.911 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.61 -44.94 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.879 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.509 ' CD1' HD11 ' A' ' 637' ' ' ILE . 3.4 mt -66.63 -41.78 87.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.968 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.621 ' HB2' HD21 ' A' ' 618' ' ' LEU . 66.8 tt0 -64.96 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.912 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.38 -28.77 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 73.05 110.84 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.75 -41.5 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.89 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.7 p -74.41 -35.25 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.15 111.102 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 5.5 t -68.69 -31.75 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.145 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.2 t -70.51 -36.11 73.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.889 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -39.03 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.89 14.57 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 61.13 110.94 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 103.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.906 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -157.56 -64.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.412 . . . . 74.52 110.962 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 4.4 mttp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 62.44 110.956 179.794 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.655 0.264 . . . . 75.22 111.17 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.715 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 6.1 m95 -70.18 156.45 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 72.41 110.909 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -135.05 173.0 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.86 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 630' ' ' LEU . 97.3 t -150.71 141.33 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 65.33 111.059 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -135.89 110.67 8.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 73.13 110.896 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.6 167.29 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.7 t -133.79 -174.72 3.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 61.13 110.873 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.9 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 63.44 110.912 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.442 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.3 m120 -46.0 163.21 0.23 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.674 0.75 . . . . 60.1 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.724 2.283 . . . . 50.11 112.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.778 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -179.43 59.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 62.31 110.915 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 23.0 ttmt -112.17 113.15 25.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.818 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.412 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -112.5 115.19 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.148 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 102.63 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.828 HD22 HD11 ' A' ' 654' ' ' ILE . 4.4 mp -85.65 136.77 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.932 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 651' ' ' GLU . 21.8 p -147.17 144.8 29.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.124 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.426 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 27.5 mtp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.838 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.893 0.378 . . . . 71.22 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.83 -70.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 61.44 110.836 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 62.24 40.73 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.864 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.73 -55.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 75.51 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -89.32 -35.73 15.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 65.11 110.867 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -33.0 71.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.897 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 19.08 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 72.22 110.895 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.61 106.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 70.14 110.908 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 152.65 38.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 55.03 110.842 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 609' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 55.0 Cg_endo -69.67 147.94 64.56 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.735 2.29 . . . . 75.2 112.415 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 22.9 mmm -112.32 128.98 56.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.2 m -97.41 178.89 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.833 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -70.46 -26.07 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 72.11 110.909 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -55.97 28.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 75.32 110.867 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -26.82 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -70.83 -59.63 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 65.22 110.897 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.617 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.1 OUTLIER -47.56 -33.74 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 63.11 110.945 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -71.93 -44.11 64.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 65.04 110.909 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -67.62 -45.81 74.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.963 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.647 ' N ' HD23 ' A' ' 618' ' ' LEU . 1.5 p -50.68 -41.72 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.5 110.854 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.29 -47.65 15.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' ASP . . . . . 0.475 ' O ' HD13 ' A' ' 625' ' ' LEU . 14.8 t0 -51.4 -53.51 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.93 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.799 HG22 HD12 ' A' ' 630' ' ' LEU . 83.5 mt -64.42 -35.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.03 111.122 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -63.58 -41.68 98.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.55 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -71.83 -28.49 63.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.87 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 1.108 HD11 HD23 ' A' ' 675' ' ' LEU . 3.2 mp -67.49 162.34 57.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.612 0.72 . . . . 64.21 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 163.08 39.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.782 2.321 . . . . 75.15 112.371 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' GLY . . . . . 0.577 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.39 -43.24 51.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 65.33 112.547 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.31 -37.92 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 75.51 110.844 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.6 OUTLIER -71.44 -44.24 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.53 110.895 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.801 HD23 HG11 ' A' ' 634' ' ' VAL . 0.2 OUTLIER -65.49 -61.08 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.965 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -40.55 -38.09 1.4 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.773 -0.727 . . . . 64.32 112.512 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -50.11 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 72.32 110.91 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.598 HG11 HD13 ' A' ' 622' ' ' ILE . 58.2 t -66.85 -55.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.45 111.15 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.801 HG11 HD23 ' A' ' 630' ' ' LEU . 9.3 m -48.51 -30.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 65.33 111.037 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -70.99 -39.3 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.778 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.473 HD11 ' CD2' ' A' ' 670' ' ' TYR . 4.2 mt -56.08 -36.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 64.34 111.134 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.702 HD11 HD13 ' A' ' 667' ' ' LEU . 3.9 mp -66.54 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.127 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 638' ' ' GLN . . . . . 0.785 ' HB3' HD11 ' A' ' 652' ' ' ILE . 6.7 pt20 -51.41 -24.48 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 70.21 110.873 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 p -69.9 -39.08 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 65.25 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.78 17.67 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.618 ' HG2' HD23 ' A' ' 644' ' ' LEU . 1.1 tt0 -110.43 99.13 39.45 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 121.687 0.756 . . . . 73.31 110.888 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -31.94 19.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.274 . . . . 42.24 112.261 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -30.08 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 64.3 110.887 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.618 HD23 ' HG2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -49.74 103.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 51.52 110.878 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -117.23 34.94 4.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.902 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.65 118.81 24.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 62.51 110.927 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 29.3 t -57.85 -32.68 67.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 65.25 110.834 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -113.73 136.57 22.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 53.12 110.857 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.99 37.88 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.652 2.235 . . . . 55.24 112.337 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -5.5 30.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 72.34 110.825 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -128.33 129.77 46.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 63.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.785 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.3 OUTLIER -142.11 144.46 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 64.21 111.11 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.15 99.72 6.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 70.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 1.127 HD13 HD23 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -90.86 118.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 71.15 111.116 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.03 98.37 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 53.32 110.915 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.715 ' CE2' HD12 ' B' ' 399' ' ' LEU . 11.2 m-30 -58.19 -27.77 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.902 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.29 -30.75 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -118.93 -25.26 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 72.3 111.199 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.408 HD23 ' HG ' ' A' ' 664' ' ' LEU . 1.7 tp -55.95 154.14 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 63.53 110.894 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -88.64 160.15 45.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 72.43 110.84 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.2 Cg_endo -69.74 -36.9 10.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 64.41 112.311 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 30.3 t -51.95 -49.65 62.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.1 110.852 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.48 HG21 ' HA ' ' A' ' 637' ' ' ILE . 97.4 m -74.92 -47.53 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 71.22 111.165 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.639 HD21 ' CG ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -51.64 -57.25 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.901 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -58.04 -35.93 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.14 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.44 66.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.931 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.702 HD13 HD11 ' A' ' 637' ' ' ILE . 4.8 mt -69.28 -53.75 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 52.41 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 671' ' ' VAL . 0.9 OUTLIER -51.94 -30.37 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.4 110.903 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -35.7 66.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 72.2 110.835 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 670' ' ' TYR . . . . . 0.473 ' CD2' HD11 ' A' ' 636' ' ' ILE . 1.4 m-85 -79.26 -50.03 11.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 64.12 110.887 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 668' ' ' GLU . 9.9 p -52.62 -32.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 72.33 111.12 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.9 m -72.47 -44.83 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.167 -0.47 . . . . 64.02 111.203 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -33.17 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.857 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 7.8 m -82.94 -43.59 16.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 73.55 110.828 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 1.108 HD23 HD11 ' A' ' 625' ' ' LEU . 3.3 tm? -67.86 -28.82 67.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 71.25 110.908 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -124.26 -75.67 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 75.24 110.923 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 -49.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.52 110.889 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.867 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 389' ' ' THR . . . . . 0.577 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.765 0.317 . . . . 64.42 111.093 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.515 ' HB3' HD22 ' A' ' 630' ' ' LEU . 12.4 m95 -92.3 155.37 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 75.4 110.9 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -127.41 -179.96 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.33 110.849 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' B' ' 401' ' ' ILE . 7.1 p -146.96 130.82 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 65.54 111.055 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -137.4 110.94 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 71.24 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.6 167.71 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 70.32 110.804 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.6 t -135.6 -171.72 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 61.31 110.851 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -30.33 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 73.11 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -47.49 164.27 0.25 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 73.42 110.881 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -15.8 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.267 . . . . 73.23 112.327 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.715 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -179.34 58.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 75.2 110.831 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 30.0 ttmt -110.64 102.12 10.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 73.41 110.889 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.837 HD12 HD21 ' B' ' 403' ' ' LEU . 1.1 pt -97.08 114.4 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.02 111.079 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 107.24 15.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.866 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 1.127 HD23 HD13 ' A' ' 654' ' ' ILE . 1.0 OUTLIER -97.25 138.71 34.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 72.35 110.932 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 29.0 p -146.97 143.13 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 51.13 111.143 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.403 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 31.6 mtp85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.843 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.778 0.323 . . . . 70.55 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.04 -73.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.847 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 53.85 44.77 29.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.44 110.881 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.98 -71.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 55.43 110.876 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -35.61 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 63.34 110.882 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.54 -25.54 17.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 64.31 110.906 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -29.76 70.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 61.33 110.845 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.8 p -49.23 137.59 13.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.903 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -98.94 153.15 37.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 63.03 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.4 Cg_endo -69.76 161.29 46.51 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.624 2.216 . . . . 63.55 112.352 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.575 ' HB2' HD22 ' A' ' 664' ' ' LEU . 7.2 mmm -126.7 107.13 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.896 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 164.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 53.32 110.818 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.36 -35.02 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 72.42 110.994 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.81 -52.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.917 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -62.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 72.45 110.887 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 0.4 OUTLIER -56.73 -39.41 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 65.53 110.928 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.796 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.88 -39.2 58.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.856 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -67.66 -30.14 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' A' ' 668' ' ' GLU . 73.7 mt -63.74 -50.23 69.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.914 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 62.8 p -53.16 -44.96 68.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.35 110.817 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.64 -60.68 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 51.32 110.879 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -48.67 -61.35 2.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.832 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.865 HG22 HD12 ' A' ' 630' ' ' LEU . 99.0 mt -49.76 -37.2 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.088 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.18 -35.16 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.862 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -69.3 -29.28 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 626' ' ' PRO . 4.6 mm? -75.04 160.64 80.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.625 0.726 . . . . 54.44 110.87 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 626' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' A' ' 625' ' ' LEU . 54.0 Cg_endo -69.73 164.21 35.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 71.04 112.326 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.37 -41.88 48.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 53.44 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.03 -38.48 37.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 74.35 110.818 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.445 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -70.77 -50.0 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 64.12 110.863 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.865 HD12 HG22 ' A' ' 622' ' ' ILE . 0.4 OUTLIER -58.29 -46.47 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 74.3 110.849 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.84 -42.26 37.46 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 71.14 112.425 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -69.12 -35.11 76.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 64.33 110.925 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.452 ' O ' HD12 ' A' ' 637' ' ' ILE . 73.9 t -65.17 -58.26 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 71.11 111.107 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.695 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 2.9 p -50.17 -29.94 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 74.31 111.142 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.73 -38.66 87.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.835 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.84 -56.73 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 72.03 111.138 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.758 HD11 HD13 ' A' ' 667' ' ' LEU . 4.3 mp -50.4 -57.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 64.32 111.127 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -57.81 -20.37 35.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 74.03 110.8 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.97 -31.51 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.88 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.26 16.45 22.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 74.45 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.444 ' HG2' HD23 ' A' ' 644' ' ' LEU . 3.3 tt0 -111.47 103.31 54.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.706 0.765 . . . . 74.22 110.896 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -27.69 26.54 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.676 2.251 . . . . 72.12 112.343 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -27.05 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 72.52 110.865 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.791 HD21 HG12 ' A' ' 652' ' ' ILE . 0.2 OUTLIER -48.33 104.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.901 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.0 34.69 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 71.43 110.885 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.4 165.54 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 65.23 110.804 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 6.8 m -91.85 -33.53 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 40.41 110.845 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -114.36 136.64 22.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.71 . . . . 63.43 110.865 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.04 20.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 74.51 112.355 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' ASP . . . . . 0.433 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.83 21.3 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.896 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -148.57 136.73 21.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.791 HG12 HD21 ' A' ' 644' ' ' LEU . 0.0 OUTLIER -143.26 143.92 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 61.52 111.177 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -116.98 97.34 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.915 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.852 HD11 HD22 ' B' ' 403' ' ' LEU . 24.5 mt -89.17 108.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.122 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -121.72 94.13 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 64.15 110.85 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.537 ' CE2' HD12 ' B' ' 399' ' ' LEU . 22.4 m-85 -57.98 -26.36 62.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.853 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.6 -31.44 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.803 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 655' ' ' ASP . 2.9 t -117.96 -25.35 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 70.42 111.113 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.515 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -55.76 160.38 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 74.43 110.916 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.515 ' H ' HD13 ' A' ' 659' ' ' LEU . 0.0 OUTLIER -88.01 160.75 45.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 73.0 110.906 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 661' ' ' PRO . . . . . 0.407 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.4 Cg_endo -69.68 -37.1 9.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 73.03 112.447 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -47.56 73.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 62.4 110.829 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.417 ' HB ' HD12 ' A' ' 659' ' ' LEU . 5.0 m -70.8 -39.04 73.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 61.11 111.133 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.575 HD22 ' HB2' ' A' ' 610' ' ' MET . 0.2 OUTLIER -54.56 -60.66 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 43.1 110.911 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -32.97 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -36.37 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 75.05 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.758 HD13 HD11 ' A' ' 637' ' ' ILE . 1.4 mt -74.73 -45.36 44.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.773 ' HB2' HD21 ' A' ' 618' ' ' LEU . 27.0 tt0 -58.35 -29.65 66.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -34.9 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -77.92 -44.92 25.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 51.35 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.11 -33.27 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 50.11 111.16 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.2 m -74.83 -34.57 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 71.15 111.189 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 48.4 t -64.42 -35.69 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 44.23 110.854 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -42.48 11.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.891 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 675' ' ' LEU . 3.3 tm? -66.81 -28.31 68.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.932 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 7.8 mtm-85 55.13 64.41 1.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 72.2 110.844 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' LYS . . . . . 0.463 ' HB2' HD12 ' A' ' 675' ' ' LEU . 0.9 OUTLIER -83.54 -67.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 75.33 110.867 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.869 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.8 0.333 . . . . 62.14 111.108 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.695 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 5.7 m95 -72.67 154.63 40.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 74.03 110.944 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -131.41 173.6 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 61.32 110.866 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.528 HG13 HD12 ' B' ' 403' ' ' LEU . 91.4 t -150.64 144.36 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 74.05 111.144 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.66 108.9 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.862 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.4 168.71 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 70.14 110.829 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 2.6 t -135.1 -167.67 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 62.33 110.854 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -70.31 -28.21 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -47.09 164.2 0.23 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 60.41 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.648 2.232 . . . . 43.21 112.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -175.17 59.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 74.01 110.91 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.01 113.68 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.9 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.527 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -114.4 114.04 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 72.32 111.194 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 103.92 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 70.22 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.852 HD22 HD11 ' A' ' 654' ' ' ILE . 4.7 mp -87.11 136.77 32.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 62.12 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 17.1 p -146.63 145.65 30.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.41 111.174 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.433 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 73.55 110.928 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.938 0.399 . . . . 61.2 110.819 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.5 m 72.08 -69.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.863 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 51.98 43.07 30.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.15 110.885 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -160.31 -56.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.844 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -51.9 -36.28 48.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.872 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -35.04 76.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 73.53 110.868 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -65.64 -30.55 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.923 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 21.6 m -68.63 109.16 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 72.41 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 155.19 37.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 70.11 110.884 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 161.22 46.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.22 112.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.688 ' HB2' HD23 ' A' ' 664' ' ' LEU . 72.7 mmm -133.22 117.3 17.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 70.22 110.906 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.87 175.12 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 64.42 110.874 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -52.76 -28.81 23.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 64.24 110.938 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -60.72 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 64.42 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 65.03 110.987 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.764 ' HA ' HD23 ' A' ' 618' ' ' LEU . 2.0 mtpt -73.69 -57.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 71.32 110.887 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.542 ' CB ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -50.62 -28.8 9.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.45 110.869 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -72.75 -40.91 65.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.874 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 615' ' ' LYS . 0.5 OUTLIER -68.08 -31.7 71.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.945 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.485 ' OG ' HD11 ' B' ' 399' ' ' LEU . 50.5 p -72.05 -37.39 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.832 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.42 -50.34 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 70.42 110.954 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' ASP . . . . . 0.73 ' HB3' HG21 ' A' ' 671' ' ' VAL . 0.5 OUTLIER -50.47 -60.57 2.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.839 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.797 HG22 HD12 ' A' ' 630' ' ' LEU . 42.3 mt -54.33 -36.96 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.08 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.08 -41.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 52.02 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -72.1 -28.81 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 71.42 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.859 HD11 HD23 ' A' ' 675' ' ' LEU . 3.2 mp -60.93 161.53 15.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 72.01 110.912 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.1 35.81 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.744 2.296 . . . . 72.34 112.375 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.21 -54.05 25.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 63.24 112.534 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.69 -38.44 32.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.4 . . . . 71.54 110.893 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -57.76 6.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.857 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.869 HD11 HG21 ' B' ' 392' ' ' VAL . 0.6 OUTLIER -55.48 -40.43 71.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 72.44 110.849 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.98 -38.96 47.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 61.32 112.417 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -39.53 78.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 74.43 110.803 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.728 HG11 HD13 ' A' ' 622' ' ' ILE . 58.7 t -62.28 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.31 111.153 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.749 ' HB ' HD23 ' B' ' 403' ' ' LEU . 3.4 p -51.35 -31.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.138 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.98 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.791 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.47 -58.97 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 70.35 111.089 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.735 HD11 ' CD1' ' A' ' 667' ' ' LEU . 3.6 mp -59.2 -26.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.44 111.157 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 638' ' ' GLN . . . . . 0.575 ' HA ' HD13 ' A' ' 644' ' ' LEU . 13.5 mt-30 -63.45 -39.32 94.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.934 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -24.87 16.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.864 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -78.53 -30.85 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.436 ' HA ' ' HD2' ' A' ' 642' ' ' PRO . 25.2 tt0 -97.64 105.5 26.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 73.24 110.927 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 642' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 54.5 Cg_endo -69.69 -39.03 7.13 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.688 2.259 . . . . 72.23 112.389 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -26.75 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 54.01 110.896 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 644' ' ' LEU . 6.8 tt -47.42 106.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 72.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -128.73 34.62 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.902 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -63.0 131.76 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 63.42 110.972 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 42.5 p -57.81 -33.81 68.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.53 110.852 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -117.93 137.55 24.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 45.44 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -6.02 17.65 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.669 2.246 . . . . 75.54 112.359 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' ASP . . . . . 0.445 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.48 21.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.806 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' B' ' 404' ' ' THR . 1.7 tt0 -148.05 140.31 24.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 63.44 110.863 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.534 HG12 HD12 ' A' ' 644' ' ' LEU . 0.0 OUTLIER -143.51 144.28 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 50.34 111.142 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -114.97 99.04 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 71.03 110.907 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.819 HD11 HD22 ' B' ' 403' ' ' LEU . 17.5 mt -97.45 108.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 43.21 111.125 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 655' ' ' ASP . . . . . 0.426 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -119.2 101.15 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.899 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.703 ' CE2' HD12 ' B' ' 399' ' ' LEU . 13.4 m-30 -61.32 -17.65 54.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 62.31 110.827 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.51 -30.83 71.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.878 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 655' ' ' ASP . 15.3 t -116.97 -25.12 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.088 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.439 ' HB3' HD13 ' A' ' 664' ' ' LEU . 0.1 OUTLIER -55.56 160.17 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 62.21 110.904 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 162.3 40.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 73.41 110.856 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -28.32 25.04 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.641 2.227 . . . . 62.12 112.33 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -55.08 20.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 50.43 110.871 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 28.2 m -61.5 -44.17 97.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.51 111.145 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.688 HD23 ' HB2' ' A' ' 610' ' ' MET . 1.4 mp -51.29 -60.55 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 52.25 110.896 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.48 -34.06 73.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -38.77 48.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.848 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.735 ' CD1' HD11 ' A' ' 637' ' ' ILE . 1.6 mt -74.97 -39.37 61.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.912 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 671' ' ' VAL . 6.7 tm-20 -68.76 -22.74 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.907 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.39 -34.91 47.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.01 110.817 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.92 -36.55 56.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.896 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.754 HG23 ' CD2' ' A' ' 625' ' ' LEU . 9.1 p -71.12 -32.77 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.135 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.6 m -73.04 -32.09 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 52.22 111.125 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.5 t -75.98 -34.8 59.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.875 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 33.8 t -78.81 -50.94 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 63.52 110.927 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.859 HD23 HD11 ' A' ' 625' ' ' LEU . 0.2 OUTLIER -74.89 -27.9 60.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 62.04 110.879 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 63.57 53.55 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.855 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.45 133.38 12.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.933 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.867 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 64.03 111.118 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.742 ' CH2' HG21 ' A' ' 634' ' ' VAL . 6.8 m95 -73.34 156.01 38.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.873 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -134.47 168.21 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.844 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.869 HG21 HD11 ' A' ' 630' ' ' LEU . 84.6 t -150.86 146.57 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 54.42 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.43 118.81 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 72.12 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.93 150.1 24.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 63.35 110.871 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.4 m -172.12 165.48 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 71.14 110.847 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -77.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 65.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.428 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -57.64 163.65 3.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.671 0.748 . . . . 63.51 110.822 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -20.08 34.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.633 2.222 . . . . 65.54 112.321 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.703 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -172.82 57.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.868 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.428 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 16.2 ttmt -109.87 103.95 12.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.908 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.476 HD12 HD11 ' B' ' 403' ' ' LEU . 1.2 pt -94.1 121.32 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 70.13 111.177 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -92.02 104.82 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 75.05 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.819 HD22 HD11 ' A' ' 654' ' ' ILE . 4.8 mp -87.61 134.8 33.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 71.52 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 651' ' ' GLU . 28.3 p -149.43 143.01 25.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 70.52 111.13 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 24.4 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 62.45 110.823 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.854 0.359 . . . . 72.44 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -73.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 73.34 110.881 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 52.05 36.12 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.8 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.33 -74.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 72.41 110.844 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 39.61 40.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 53.43 110.876 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.56 -35.12 13.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 65.45 110.869 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -65.74 -30.53 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 61.31 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 66.3 m -65.14 122.03 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.882 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -96.58 153.42 38.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 62.33 110.837 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.74 2.293 . . . . 53.11 112.316 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.55 ' HB2' HD23 ' A' ' 664' ' ' LEU . 41.5 mmm -118.24 131.49 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 71.42 110.868 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.19 145.98 35.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 62.32 110.84 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -58.54 -30.53 67.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 64.23 110.871 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.69 -62.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 54.15 110.848 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -43.86 92.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 74.54 110.856 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.593 ' HA ' HD23 ' A' ' 618' ' ' LEU . 25.4 mmmt -55.2 -46.66 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.86 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.623 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -52.14 -30.92 28.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.897 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 617' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 40.5 tp60 -68.47 -35.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 615' ' ' LYS . 3.4 mm? -65.84 -44.84 84.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 64.44 110.902 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 4.5 m -51.88 -45.64 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 55.12 110.846 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.45 -52.35 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 70.01 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -50.47 -61.13 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 52.34 110.926 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.812 HG22 HD12 ' A' ' 630' ' ' LEU . 49.7 mt -55.79 -35.6 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.114 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.9 -41.3 91.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -28.57 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.833 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 1.029 HD11 HD23 ' A' ' 675' ' ' LEU . 6.3 mp -71.18 162.02 74.96 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 65.14 110.926 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 163.67 37.31 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.742 2.295 . . . . 65.32 112.388 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 627' ' ' GLY . . . . . 0.478 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.97 -38.97 47.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 42.05 112.517 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.79 -39.08 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 72.03 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.577 ' O ' HG23 ' A' ' 633' ' ' VAL . 2.4 mmpm? -71.28 -44.87 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.914 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.812 HD12 HG22 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -62.94 -56.88 13.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.95 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.09 -34.83 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 63.55 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -74.74 -49.97 19.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 71.05 110.864 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 629' ' ' LYS . 21.7 t -68.02 -58.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 72.14 111.136 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.654 HG11 HD23 ' A' ' 630' ' ' LEU . 14.9 m -49.72 -31.41 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 74.45 111.116 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -67.72 -36.76 81.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.82 -32.16 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 64.11 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 667' ' ' LEU . 3.3 mp -69.25 -47.03 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 71.55 111.095 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.21 -14.79 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 70.21 110.973 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.1 t -96.09 -35.1 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 62.32 110.878 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -88.21 -33.35 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 65.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.32 120.03 66.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 52.25 110.876 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.726 2.284 . . . . 70.32 112.294 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -34.83 71.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.847 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.612 HD21 ' H ' ' A' ' 653' ' ' GLU . 0.1 OUTLIER -89.19 48.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.902 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -114.94 36.69 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 73.23 110.925 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.21 161.64 13.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 52.2 110.855 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -7.56 54.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 74.23 110.801 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -108.13 90.05 6.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 75.22 110.92 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -10.48 28.67 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.24 . . . . 64.13 112.339 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -5.05 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.957 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -135.58 132.49 37.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 70.34 110.862 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -142.15 143.98 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 54.44 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.612 ' H ' HD21 ' A' ' 644' ' ' LEU . 0.1 OUTLIER -119.94 97.55 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 63.24 110.879 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.814 HD12 HD23 ' B' ' 403' ' ' LEU . 42.0 mt -90.61 108.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.16 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' ASP . . . . . 0.465 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -124.2 102.93 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 65.3 110.852 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.629 ' CE2' HD12 ' B' ' 399' ' ' LEU . 19.4 m-85 -62.27 -17.17 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.818 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -67.31 -34.09 76.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.465 HG22 ' HB2' ' A' ' 655' ' ' ASP . 11.8 t -108.64 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 72.03 111.12 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 160.73 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 72.43 110.907 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.28 163.03 38.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 61.02 110.923 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -27.67 26.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 65.45 112.37 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -52.67 55.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.894 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.2 m -64.99 -44.66 88.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 72.03 111.17 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 610' ' ' MET . 2.5 mp -46.21 -58.11 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.888 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -66.1 -43.63 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 64.03 110.856 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -50.42 57.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.859 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.548 ' CD2' HD11 ' A' ' 637' ' ' ILE . 0.2 OUTLIER -50.89 -50.98 56.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 61.22 110.875 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.514 ' HA ' HG12 ' A' ' 671' ' ' VAL . 0.0 OUTLIER -61.29 -34.34 75.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.851 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -33.11 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.807 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -80.96 -61.07 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 70.12 110.942 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 668' ' ' GLU . 3.9 p -51.67 -31.34 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 52.21 111.122 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' THR . . . . . 0.428 ' HG1' ' HG2' ' A' ' 668' ' ' GLU . 76.9 m -73.76 -39.35 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.5 111.156 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 40.2 t -65.24 -33.46 76.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 53.13 110.859 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 52.5 m -86.23 -44.64 11.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 71.24 110.857 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 625' ' ' LEU . 3.0 tm? -66.73 -29.01 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.973 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.89 122.49 8.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 42.22 110.862 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -160.48 161.2 32.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 61.11 110.907 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.852 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 389' ' ' THR . . . . . 0.478 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.792 0.33 . . . . 74.42 111.146 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -91.48 174.99 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.869 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -141.02 163.19 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.819 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' B' ' 403' ' ' LEU . 13.1 p -132.37 133.61 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.149 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -137.51 109.66 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.936 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 163.97 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 63.44 110.863 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 6.8 t -133.95 176.89 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.809 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -55.0 -26.83 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 63.4 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.422 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.7 OUTLIER -46.69 163.07 0.24 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 64.23 110.904 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.96 37.21 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.756 2.304 . . . . 54.22 112.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.629 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -177.79 61.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.929 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.422 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 13.3 ttmt -112.93 126.88 55.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.32 110.96 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.859 HD12 HD21 ' B' ' 403' ' ' LEU . 0.7 OUTLIER -120.21 107.96 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 74.22 111.086 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 99.15 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 61.14 110.823 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.859 HD21 HD12 ' B' ' 401' ' ' ILE . 1.7 mm? -90.99 136.19 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 43.11 110.93 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 20.3 p -144.85 144.73 31.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.154 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.2 mtp85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.31 110.837 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.864 0.364 . . . . 72.1 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.4 m -82.72 71.91 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 53.34 110.879 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -55.26 -37.92 67.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.839 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -123.91 -68.51 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.914 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 72.36 -68.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.931 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -35.25 59.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.858 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -30.51 24.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.905 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 12.1 t -65.27 107.63 1.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 63.3 110.91 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 153.53 43.85 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 73.32 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 75.31 112.329 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.788 ' HB2' HD23 ' A' ' 664' ' ' LEU . 2.2 mmm -119.98 111.1 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 72.15 110.884 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.92 154.03 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 64.5 110.896 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 612' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 616' ' ' ARG . 42.6 p90 -49.92 -39.31 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.94 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -59.37 5.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 73.11 110.832 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.6 -58.53 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 73.11 110.888 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 14.2 ptpt -59.24 -33.91 71.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.885 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.636 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.4 OUTLIER -52.06 -37.03 52.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.94 72.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.951 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' A' ' 668' ' ' GLU . 88.9 mt -51.6 -43.19 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 61.42 110.927 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.5 t -65.97 -55.04 18.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.853 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.9 -59.74 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 65.22 110.917 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' ASP . . . . . 0.723 ' HB3' HG21 ' A' ' 671' ' ' VAL . 0.7 OUTLIER -48.92 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 73.13 110.843 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.707 HD13 HG11 ' A' ' 633' ' ' VAL . 93.1 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 72.53 111.08 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.49 -38.62 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.89 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -28.67 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.835 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.809 HD11 HG23 ' A' ' 671' ' ' VAL . 23.8 mt -61.06 159.62 26.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 73.35 110.964 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.44 34.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 60.52 112.342 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.19 -44.64 57.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.761 -0.733 . . . . 55.41 112.434 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -50.15 -38.95 41.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 73.24 110.809 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.513 ' HG3' HD13 ' A' ' 625' ' ' LEU . 0.1 OUTLIER -70.61 -40.72 73.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 53.3 110.905 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.937 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -58.44 -63.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 75.31 110.968 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.56 -35.99 4.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 62.42 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.83 -53.54 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 70.14 110.847 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.707 HG11 HD13 ' A' ' 622' ' ' ILE . 91.5 t -63.41 -56.81 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.02 111.138 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 1.141 HG12 HD23 ' B' ' 403' ' ' LEU . 12.4 m -48.92 -32.36 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 73.24 111.153 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -67.12 -38.03 84.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.866 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.6 mt -62.53 -47.11 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 63.54 111.136 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.591 HG12 HD11 ' A' ' 667' ' ' LEU . 10.5 mt -54.14 -64.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 65.22 111.093 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.8 -24.65 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 61.44 110.916 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -35.82 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.889 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -115.12 17.28 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 74.43 110.924 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.644 ' OE1' HD23 ' A' ' 644' ' ' LEU . 28.5 tt0 -109.83 95.86 22.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.684 0.754 . . . . 65.22 110.96 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -32.47 18.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.24 . . . . 75.31 112.38 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 8.0 t -62.53 -25.65 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.843 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.644 HD23 ' OE1' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -50.01 110.77 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 72.25 110.876 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -121.66 35.21 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.928 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.03 115.11 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 71.1 110.876 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 1.6 p -58.06 -32.86 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 72.02 110.859 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -106.81 137.41 19.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.708 . . . . 65.44 110.847 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -8.46 23.67 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.684 2.256 . . . . 62.44 112.356 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -92.29 23.02 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.846 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -145.44 135.3 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 70.52 110.826 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.3 OUTLIER -138.45 140.65 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 63.32 111.13 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.485 ' H ' HD21 ' A' ' 644' ' ' LEU . 11.6 tt0 -119.68 98.3 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.897 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.932 HD11 HD22 ' B' ' 403' ' ' LEU . 26.1 mt -84.76 110.35 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.4 111.14 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -126.42 90.09 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.868 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.66 ' CD1' HD11 ' A' ' 664' ' ' LEU . 20.1 m-30 -57.65 -29.18 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 70.15 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.56 -30.35 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.916 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.1 t -117.3 -25.4 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.44 111.121 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -56.02 155.97 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.899 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.556 ' H ' HD13 ' A' ' 659' ' ' LEU . 4.2 mtmm -88.89 162.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 70.24 110.858 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -32.2 18.77 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.617 2.212 . . . . 72.43 112.342 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.65 -51.72 64.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 51.04 110.81 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 659' ' ' LEU . 90.2 m -67.24 -40.86 86.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 44.04 111.121 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 610' ' ' MET . 0.9 OUTLIER -51.03 -53.76 30.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 53.41 110.905 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -33.53 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 70.42 110.866 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.23 -50.54 61.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 72.52 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.591 HD11 HG12 ' A' ' 637' ' ' ILE . 5.7 mt -62.67 -38.06 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 60.34 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.429 ' HB2' HD21 ' A' ' 618' ' ' LEU . 16.6 tt0 -60.6 -28.29 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.95 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -36.14 63.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 63.53 110.934 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -76.97 -46.27 24.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 70.14 110.917 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.809 HG23 HD11 ' A' ' 625' ' ' LEU . 8.0 p -58.58 -32.67 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 70.53 111.094 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.6 m -74.05 -34.84 64.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.129 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.4 t -63.78 -35.59 81.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 72.42 110.805 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -42.2 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.902 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.703 HD22 ' OD1' ' A' ' 621' ' ' ASP . 17.0 tp -66.66 -28.01 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 74.05 110.931 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.16 120.51 5.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.865 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.39 -45.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 74.43 110.877 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 38.7 mttm . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 64.13 110.915 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.813 0.34 . . . . 73.1 111.141 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.807 ' HB3' HD22 ' A' ' 630' ' ' LEU . 10.6 m95 -91.77 153.21 19.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -119.27 172.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.776 HG23 HD11 ' B' ' 403' ' ' LEU . 8.9 p -140.31 131.94 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 65.14 111.194 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -141.56 112.27 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 164.54 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.811 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.3 p -127.62 -175.21 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -68.01 -26.81 66.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 64.22 110.902 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.8 m-20 -47.04 165.09 0.21 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 75.5 110.91 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 398' ' ' PRO . . . . . 0.411 ' O ' HD22 ' B' ' 399' ' ' LEU . 53.7 Cg_endo -69.78 -23.57 30.56 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.695 2.263 . . . . 74.33 112.315 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.0 OUTLIER -164.93 57.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 75.11 110.881 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 15.1 ttmt -106.22 136.23 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 45.14 110.873 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.625 HG22 ' CD1' ' B' ' 403' ' ' LEU . 0.7 OUTLIER -134.71 112.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 73.3 111.153 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.46 96.96 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.874 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 1.141 HD23 HG12 ' A' ' 634' ' ' VAL . 1.2 mp -96.34 139.61 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.55 110.882 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 14.8 p -148.27 147.43 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.224 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.424 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.4 mtp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 71.14 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.857 0.361 . . . . 73.01 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.8 p -126.73 -72.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.882 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 53.29 53.59 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 72.31 110.868 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.06 -53.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.877 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -52.54 -36.82 56.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.911 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.25 -35.09 77.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.852 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -94.44 18.65 10.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 60.22 110.871 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.07 106.3 18.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.888 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 159.18 31.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 73.15 110.832 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 161.29 46.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 70.13 112.379 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.714 ' HB2' HD23 ' A' ' 664' ' ' LEU . 60.1 mmm -126.95 113.88 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 63.04 110.846 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.77 159.23 22.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 61.53 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -65.33 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.975 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.03 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 63.41 110.91 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -55.88 -30.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.513 ' HZ3' HD23 ' A' ' 618' ' ' LEU . 12.9 mmtt -71.75 -41.03 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 71.55 110.842 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.791 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.79 -32.13 29.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 74.3 110.817 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 617' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 15.0 tp60 -79.39 -34.45 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.744 HD21 ' HG3' ' A' ' 668' ' ' GLU . 0.5 OUTLIER -69.85 -42.63 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.887 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.544 ' OG ' HD11 ' B' ' 399' ' ' LEU . 1.2 p -59.22 -45.3 91.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.797 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.36 -53.37 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 64.32 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' ASP . . . . . 0.492 ' O ' HD13 ' A' ' 625' ' ' LEU . 37.9 m-20 -51.65 -61.2 2.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 53.14 110.842 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.812 HG22 HD12 ' A' ' 630' ' ' LEU . 76.6 mt -52.93 -37.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.073 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -65.43 -35.64 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -28.7 61.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.849 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 629' ' ' LYS . 9.1 mp -59.89 161.6 11.67 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.642 0.735 . . . . 62.4 110.881 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.18 35.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.262 . . . . 54.22 112.349 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 627' ' ' GLY . . . . . 0.66 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -55.87 -34.3 61.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 63.13 112.455 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.82 -40.82 92.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 75.41 110.866 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.668 ' HB3' HD23 ' A' ' 625' ' ' LEU . 9.7 mttt -72.93 -43.38 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 54.12 110.864 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.812 HD12 HG22 ' A' ' 622' ' ' ILE . 0.6 OUTLIER -67.54 -47.14 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 65.31 110.899 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -47.29 -43.1 18.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 73.41 112.511 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -62.87 -47.7 82.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 75.24 110.867 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 667' ' ' LEU . 90.4 t -61.61 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 60.25 111.107 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.649 HG13 HG21 ' A' ' 652' ' ' ILE . 44.0 t -50.5 -29.14 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.32 111.158 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -67.38 -35.84 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.857 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.7 mt -68.97 -36.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.106 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.657 HD11 ' CD1' ' A' ' 667' ' ' LEU . 46.0 mt -72.68 -54.43 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.099 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -61.52 -18.09 57.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 65.43 110.918 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 36.0 t -96.18 -34.11 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 70.43 110.911 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.18 -32.6 44.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.511 . . . . 64.5 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.531 ' HG2' HD23 ' A' ' 644' ' ' LEU . 0.8 OUTLIER -86.35 122.89 72.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.684 0.754 . . . . 50.24 110.855 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 62.22 112.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -31.47 71.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 64.22 110.863 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.531 HD23 ' HG2' ' A' ' 641' ' ' GLU . 0.5 OUTLIER -60.74 -167.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 73.15 110.866 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt 69.53 50.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.902 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.53 -171.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.844 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.46 -30.35 64.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 73.4 110.892 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -120.59 123.16 28.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 73.34 110.922 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -4.48 14.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.767 2.311 . . . . 74.43 112.325 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.35 22.9 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.861 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.29 134.07 22.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.911 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.649 HG21 HG13 ' A' ' 634' ' ' VAL . 0.2 OUTLIER -141.87 137.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 53.53 111.112 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -115.81 97.5 6.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.88 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.625 HG23 HD13 ' A' ' 637' ' ' ILE . 9.7 mt -91.76 109.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 62.12 111.169 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -127.86 97.05 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.866 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.673 ' CE2' HD12 ' B' ' 399' ' ' LEU . 18.7 m-85 -59.82 -19.39 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.898 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.17 -29.5 70.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.966 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.4 t -118.58 -26.31 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 52.42 111.112 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 158.34 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.994 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -88.25 161.45 43.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 62.41 110.816 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -31.68 19.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 50.1 112.318 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.19 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 54.3 110.918 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 91.6 m -64.22 -38.34 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 74.43 111.141 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.714 HD23 ' HB2' ' A' ' 610' ' ' MET . 1.6 mp -52.83 -60.84 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 71.52 110.869 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.4 110.938 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.65 -35.72 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 64.31 110.938 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.657 ' CD1' HD11 ' A' ' 637' ' ' ILE . 1.5 mt -77.13 -43.19 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 51.22 110.868 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.744 ' HG3' HD21 ' A' ' 618' ' ' LEU . 0.4 OUTLIER -61.49 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.845 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -35.58 63.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 71.01 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -79.02 -46.67 17.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 74.42 111.001 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 668' ' ' GLU . 9.9 p -57.18 -32.38 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 73.04 111.139 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.3 m -73.3 -42.31 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 75.33 111.08 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -34.83 79.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 73.05 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -36.9 23.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 70.54 110.902 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.59 14.49 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.977 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.24 120.11 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 74.41 110.85 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -136.06 96.31 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.54 110.905 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.89 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 389' ' ' THR . . . . . 0.66 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 73.53 111.113 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.427 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 6.7 m95 -85.59 160.32 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.901 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -139.41 161.97 36.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.863 HG23 HD22 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -134.51 159.66 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 73.53 111.131 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.7 101.62 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 73.32 110.947 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 157.84 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 50.54 110.817 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.75 -179.52 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 54.32 110.819 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -55.26 -26.2 38.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 74.53 111.004 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.5 m120 -46.04 162.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.659 0.742 . . . . 74.3 110.838 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -19.38 36.32 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.244 . . . . 75.31 112.318 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -177.96 60.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.878 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 24.3 ttmt -112.18 118.92 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.898 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -118.26 109.0 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 70.42 111.126 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.23 100.0 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.915 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.863 HD22 HG23 ' B' ' 392' ' ' VAL . 0.5 OUTLIER -83.15 144.34 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 55.14 110.921 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 39.7 p -151.9 144.06 23.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 71.21 111.221 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 23.0 mtp85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 72.21 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.833 0.349 . . . . 74.14 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.83 104.53 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 53.21 110.832 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -99.09 36.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.937 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.01 40.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.963 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -130.14 -60.22 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 72.33 110.917 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.91 -35.23 72.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.9 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -30.49 70.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 64.42 110.891 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 19.6 m -90.92 105.83 18.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 60.4 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 155.75 36.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.459 0.647 . . . . 73.2 110.967 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.05 54.86 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.27 . . . . 74.1 112.318 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.562 ' CB ' HD22 ' A' ' 664' ' ' LEU . 56.9 mmm -135.06 113.27 11.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 65.22 110.944 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.5 110.923 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 612' ' ' TYR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 21.5 p90 -64.37 -28.87 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.947 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.5 . . . . 71.35 110.862 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -68.47 -33.03 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.875 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.634 ' HG2' HD11 ' A' ' 664' ' ' LEU . 2.5 mtmt -60.4 -57.69 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.978 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.682 ' HA ' HD21 ' B' ' 399' ' ' LEU . 2.9 ptt180 -51.66 -33.28 32.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.831 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -34.3 76.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 71.22 110.942 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.616 HD11 HD23 ' A' ' 664' ' ' LEU . 40.4 mt -69.89 -53.94 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.91 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.628 ' OG ' HD11 ' B' ' 399' ' ' LEU . 3.1 p -51.0 -37.97 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 71.05 110.841 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 54.31 110.905 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.14 -61.04 2.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 74.43 110.841 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.578 HG22 HD12 ' A' ' 630' ' ' LEU . 3.5 mt -53.79 -40.55 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.096 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.58 -41.53 99.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.03 110.813 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -69.34 -28.41 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 54.32 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.643 ' CD2' HG23 ' A' ' 671' ' ' VAL . 3.6 mp -62.35 160.48 32.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 75.31 110.909 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 165.06 32.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 75.42 112.346 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 627' ' ' GLY . . . . . 0.511 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -50.2 -57.66 9.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 64.0 112.475 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -50.19 -39.7 44.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 72.15 110.89 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.463 ' HD2' HD23 ' A' ' 625' ' ' LEU . 2.7 mmtm -67.19 -40.31 86.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 73.23 110.893 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.89 HD21 HD12 ' B' ' 403' ' ' LEU . 0.6 OUTLIER -68.81 -49.19 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.882 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.29 -39.35 5.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.41 112.494 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -48.8 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 73.04 110.817 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.562 HG21 HG12 ' A' ' 622' ' ' ILE . 31.4 t -61.06 -56.02 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.172 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.603 HG22 ' HG ' ' B' ' 403' ' ' LEU . 16.6 t -50.62 -33.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.078 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -64.6 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.895 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.2 mt -69.1 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.44 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.709 HG21 HG23 ' A' ' 654' ' ' ILE . 65.9 mt -54.06 -44.37 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 111.128 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -70.44 -14.3 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 54.04 110.903 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.3 m -90.65 -35.67 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -32.76 16.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 71.01 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -51.59 125.06 27.21 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.612 0.72 . . . . 74.12 110.892 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -42.73 3.05 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.661 2.241 . . . . 74.53 112.286 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -35.56 81.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 65.32 110.802 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 644' ' ' LEU . 2.1 tm? -52.12 103.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 54.15 110.941 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -161.34 35.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 63.44 110.86 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -96.83 158.45 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 71.11 110.891 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 40.5 m -86.83 7.12 28.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 64.22 110.867 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' ASN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 649' ' ' PRO . 23.5 t-20 -112.79 91.21 16.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.617 0.723 . . . . 72.43 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 649' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 648' ' ' ASN . 53.4 Cg_endo -69.73 -8.1 22.74 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.754 2.302 . . . . 54.33 112.354 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 6.19 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.827 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.42 136.78 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 72.42 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.545 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.18 141.82 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 71.14 111.099 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -118.19 98.33 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.836 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.748 HD13 HD23 ' B' ' 403' ' ' LEU . 2.6 mp -90.85 108.88 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 75.24 111.179 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' ASP . . . . . 0.665 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -109.27 96.38 6.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.808 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.693 ' CE2' HD12 ' B' ' 399' ' ' LEU . 7.4 m-30 -56.4 -26.15 52.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.841 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -56.95 -40.27 76.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 63.31 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.665 HG22 ' HB2' ' A' ' 655' ' ' ASP . 8.8 t -104.51 -19.75 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 60.34 111.117 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.507 HD11 HG23 ' A' ' 637' ' ' ILE . 7.2 tp -55.9 144.26 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.923 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.16 162.33 40.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 74.4 110.829 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.7 17.81 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 75.51 112.308 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -43.93 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 61.31 110.835 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.413 HG21 ' HA ' ' A' ' 637' ' ' ILE . 23.8 m -72.61 -43.37 63.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.124 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.634 HD11 ' HG2' ' A' ' 615' ' ' LYS . 0.1 OUTLIER -52.4 -59.52 4.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 64.22 110.915 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.84 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.854 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.92 -33.86 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.902 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 637' ' ' ILE . 2.7 mt -75.94 -56.35 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 63.3 110.945 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.417 ' HA ' HG12 ' A' ' 671' ' ' VAL . 1.2 tt0 -51.96 -31.1 27.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.842 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -34.89 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 62.34 110.873 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -79.13 -49.1 13.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.948 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.643 HG23 ' CD2' ' A' ' 625' ' ' LEU . 8.3 p -53.98 -33.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 64.14 111.121 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 21.4 m -82.15 -33.84 29.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.32 111.127 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -34.03 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.1 110.885 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 68.2 m -84.46 -50.7 7.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 54.11 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 625' ' ' LEU . 11.5 tp -69.97 -28.12 65.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.981 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.39 64.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.45 110.828 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 147.15 33.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.872 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 63.4 110.938 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 389' ' ' THR . . . . . 0.511 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.83 0.348 . . . . 61.53 111.123 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.539 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 7.9 m95 -87.2 161.77 17.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.929 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -139.75 164.66 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 74.33 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.681 HG23 HD22 ' B' ' 403' ' ' LEU . 1.5 p -137.91 144.53 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 73.43 111.154 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -137.21 99.66 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.924 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 170.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.827 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.55 -169.2 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.8 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -70.73 -29.34 65.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 73.21 110.934 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.428 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.9 m-20 -47.6 164.9 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.647 0.736 . . . . 74.21 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 -12.91 34.0 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 73.24 112.425 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.693 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -178.95 59.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 73.23 110.893 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 655' ' ' ASP . 0.9 OUTLIER -108.95 119.48 39.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 70.34 110.851 179.791 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.651 HD12 ' HB ' ' A' ' 654' ' ' ILE . 0.5 OUTLIER -122.44 111.97 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.151 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -86.65 106.2 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.839 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.89 HD12 HD21 ' A' ' 630' ' ' LEU . 2.4 mm? -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.925 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 19.7 p -146.5 143.14 28.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 54.25 111.149 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.02 110.933 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.853 0.359 . . . . 71.22 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 3.0 p -109.25 -74.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 72.51 110.838 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 57.84 38.17 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.897 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -169.98 -69.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 74.3 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -57.25 -36.24 70.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.91 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.42 -26.2 17.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.863 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -29.67 70.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 65.04 110.895 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.1 p -48.95 138.61 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 51.21 110.96 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -98.53 154.34 37.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 65.3 110.876 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.3 Cg_endo -69.82 161.04 47.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 75.23 112.332 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.6 mmm -123.81 106.84 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 75.1 110.848 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 148.59 50.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.904 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -44.24 -35.87 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 73.1 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 -48.75 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 70.55 110.924 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.811 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.733 ' HA ' HD23 ' A' ' 618' ' ' LEU . 3.1 mtmm -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.874 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.464 ' HA ' HD21 ' B' ' 399' ' ' LEU . 5.9 mtm180 -68.39 -45.76 71.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.841 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -55.75 -28.94 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 54.15 110.856 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.77 HD12 HD12 ' A' ' 622' ' ' ILE . 0.3 OUTLIER -86.05 -28.75 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 65.42 110.883 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 619' ' ' SER . . . . . 0.418 ' HB3' HD11 ' B' ' 399' ' ' LEU . 30.5 p -65.02 -46.64 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 54.04 110.829 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.2 tp -77.89 -40.87 38.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 72.12 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.16 -58.32 5.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.847 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.77 HD12 HD12 ' A' ' 618' ' ' LEU . 33.2 mt -57.9 -38.85 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 72.01 111.144 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -37.71 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.885 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -70.77 -28.64 64.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.614 ' CD1' HG23 ' A' ' 671' ' ' VAL . 23.7 mt -68.3 160.48 75.3 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 72.13 110.918 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 164.67 33.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 73.34 112.348 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.56 54.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 53.22 112.471 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.04 -40.19 30.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 64.34 110.873 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.9 mmtp -71.68 -35.76 70.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.86 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.966 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -63.46 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 63.11 110.908 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.63 -35.62 2.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.23 112.574 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -53.76 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 72.24 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.527 HG11 ' CD1' ' A' ' 622' ' ' ILE . 59.2 t -64.93 -52.91 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.31 111.151 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.968 HG12 HD23 ' B' ' 403' ' ' LEU . 6.7 m -48.38 -32.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.186 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.62 -37.21 73.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.507 . . . . 54.44 110.829 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.53 -37.72 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 71.25 111.144 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.764 HG21 HG12 ' A' ' 654' ' ' ILE . 3.1 mp -65.72 -65.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.127 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 638' ' ' GLN . . . . . 0.734 ' HB3' HD11 ' A' ' 652' ' ' ILE . 9.0 pt20 -53.96 -24.32 16.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.913 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -71.24 -34.88 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 70.41 110.821 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -115.14 17.4 16.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.899 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.69 ' OE1' HD23 ' A' ' 644' ' ' LEU . 55.5 tt0 -109.92 103.93 54.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 62.41 110.834 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -32.46 18.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.633 2.222 . . . . 51.21 112.358 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -32.29 73.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 62.33 110.843 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.69 HD23 ' OE1' ' A' ' 641' ' ' GLU . 0.3 OUTLIER -53.63 101.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 70.34 110.885 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -118.61 35.96 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 61.34 110.861 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' ASN . . . . . 0.517 ' H ' HD13 ' A' ' 644' ' ' LEU . 8.9 m120 -81.92 103.67 11.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 74.5 110.874 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 17.6 m -57.7 -27.76 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 62.23 110.869 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' ASN . . . . . 0.674 HD22 ' HB3' ' A' ' 651' ' ' GLU . 2.0 p30 -104.57 130.19 23.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 71.25 110.84 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -12.21 32.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.252 . . . . 73.11 112.395 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' ASP . . . . . 0.424 ' CG ' ' HB2' ' B' ' 405' ' ' ARG . 4.9 t70 -83.13 11.69 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.884 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.674 ' HB3' HD22 ' A' ' 648' ' ' ASN . 28.5 tt0 -150.29 129.69 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.4 110.895 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.734 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.0 OUTLIER -142.38 133.67 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.094 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -117.4 98.73 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 71.21 110.919 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.764 HG12 HG21 ' A' ' 637' ' ' ILE . 36.3 mt -91.54 108.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 63.53 111.136 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -106.19 96.04 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' B' ' 399' ' ' LEU . 5.1 m-30 -57.65 -28.4 63.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.876 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -54.27 -34.22 60.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 51.01 110.854 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.6 t -112.45 -21.23 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 35.32 111.069 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.34 154.18 6.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 75.5 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -88.19 158.84 49.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 74.24 110.908 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 661' ' ' PRO . . . . . 0.428 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.1 Cg_endo -69.83 -38.1 8.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 70.55 112.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.06 56.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 62.23 110.875 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.414 HG21 ' HA ' ' A' ' 637' ' ' ILE . 25.5 m -63.29 -44.37 95.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.17 -0.468 . . . . 53.54 111.171 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 615' ' ' LYS . 0.1 OUTLIER -51.56 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 53.15 110.899 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -34.66 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 52.04 110.946 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.44 -34.63 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.962 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 637' ' ' ILE . 1.2 mt -77.4 -44.84 27.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 74.44 110.885 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.447 ' HA ' HG12 ' A' ' 671' ' ' VAL . 22.2 tt0 -59.59 -27.64 66.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.464 . . . . 72.24 110.892 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.32 -35.67 47.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.02 110.832 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -78.88 -36.58 41.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.942 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.614 HG23 ' CD1' ' A' ' 625' ' ' LEU . 7.8 p -69.91 -31.75 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.167 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -76.43 -31.07 57.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 53.12 111.195 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 21.9 t -71.92 -34.09 68.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 65.41 110.825 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.6 m -85.85 -50.96 6.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 70.4 110.83 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 675' ' ' LEU . 1.3 tt -70.06 -28.24 65.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.945 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 63.21 61.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.843 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.34 142.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.9 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 64.23 110.911 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.741 0.305 . . . . 62.14 111.148 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.798 ' HB3' HD22 ' A' ' 630' ' ' LEU . 16.2 m95 -89.49 156.29 18.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.928 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -130.01 175.07 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 70.24 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' B' ' 401' ' ' ILE . 14.8 p -137.99 131.5 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 63.14 111.144 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -139.77 112.34 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 168.87 17.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.914 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.48 -173.13 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 31.54 110.812 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -65.27 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 74.53 110.9 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.34 165.29 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 65.32 110.889 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.86 37.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 62.02 112.35 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.729 HD12 HD11 ' B' ' 401' ' ' ILE . 0.1 OUTLIER -174.85 56.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.9 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -102.08 103.86 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.858 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.729 HD11 HD12 ' B' ' 399' ' ' LEU . 0.9 OUTLIER -102.05 110.52 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 72.41 111.113 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 95.93 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.31 110.839 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.968 HD23 HG12 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -89.82 139.01 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 72.11 110.88 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 651' ' ' GLU . 27.1 p -149.04 141.24 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 61.13 111.14 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.424 ' HB2' ' CG ' ' A' ' 650' ' ' ASP . 54.5 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.85 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.875 0.369 . . . . 73.14 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 10.8 m 63.83 107.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 65.22 110.853 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -94.87 35.9 1.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.45 110.854 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -145.49 -42.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.9 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.06 -38.47 20.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 72.35 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -52.21 -35.1 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -75.3 -30.41 60.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.841 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 50.5 m -84.35 113.68 21.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.404 . . . . 50.31 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -93.37 153.41 41.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 75.43 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 161.1 47.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 74.21 112.351 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' MET . . . . . 0.713 ' HB2' HD22 ' A' ' 664' ' ' LEU . 24.0 mmm -125.66 129.76 50.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.83 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.04 154.36 22.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.827 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -50.91 -35.15 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 75.13 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -59.24 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 61.41 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.729 ' HD3' HD21 ' A' ' 664' ' ' LEU . 0.0 OUTLIER -49.9 -32.85 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.929 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.797 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -55.97 -45.25 78.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.834 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -67.98 -26.24 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.93 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.686 HD11 ' HA ' ' A' ' 668' ' ' GLU . 4.3 mm? -70.72 -48.95 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.985 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -41.56 68.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 73.23 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.83 -61.04 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.841 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.772 HD13 HG11 ' A' ' 633' ' ' VAL . 97.0 mt -53.64 -35.73 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 51.34 111.084 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.76 -41.14 88.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.873 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -69.19 -28.83 66.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 1.026 HD11 HD23 ' A' ' 675' ' ' LEU . 1.2 mp -62.78 162.15 23.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 63.33 110.906 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 163.83 36.84 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.681 2.254 . . . . 73.24 112.316 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.6 -48.35 55.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 62.03 112.435 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -49.6 -38.01 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 72.11 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.727 ' HE2' HD23 ' A' ' 625' ' ' LEU . 0.0 OUTLIER -70.13 -59.13 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.927 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.77 HD21 ' HG ' ' B' ' 403' ' ' LEU . 2.0 tt -51.87 -45.29 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.33 110.938 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -50.5 -40.24 38.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 61.02 112.465 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.44 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 64.33 110.912 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.772 HG11 HD13 ' A' ' 622' ' ' ILE . 92.6 t -65.29 -56.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.081 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.759 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 3.0 p -50.03 -34.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.212 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -36.34 83.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 74.4 110.821 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.9 mt -65.23 -56.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 71.44 111.139 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.743 HG21 HG12 ' A' ' 654' ' ' ILE . 4.1 mp -49.93 -62.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.53 111.133 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -50.45 -28.74 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 71.42 110.9 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -49.91 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.888 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -97.47 17.21 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 73.54 110.97 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.696 ' HG2' HD23 ' A' ' 644' ' ' LEU . 1.5 tp10 -109.73 92.77 12.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.653 0.739 . . . . 73.42 110.848 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 642' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 53.6 Cg_endo -69.81 -31.74 19.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 70.21 112.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -28.29 68.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 64.32 110.822 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.696 HD23 ' HG2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -49.66 108.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.891 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -124.62 35.2 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.897 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.41 124.59 24.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.871 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 6.2 p -60.09 -34.54 73.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 44.2 110.841 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -110.01 136.74 20.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 73.52 110.891 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -7.69 21.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 72.04 112.342 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.1 OUTLIER -91.4 22.43 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.04 110.854 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.44 ' HA ' HG22 ' B' ' 404' ' ' THR . 37.8 tt0 -148.41 135.78 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.15 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.721 HG21 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.48 144.93 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.132 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 653' ' ' GLU . . . . . 0.604 ' H ' HD21 ' A' ' 644' ' ' LEU . 4.1 tt0 -118.43 97.96 6.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 62.43 110.89 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.796 HD11 HD22 ' B' ' 403' ' ' LEU . 27.9 mt -89.58 108.64 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 61.12 111.178 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 655' ' ' ASP . . . . . 0.628 ' C ' HD12 ' A' ' 659' ' ' LEU . 0.0 OUTLIER -121.15 104.37 9.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.861 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.7 m-85 -63.46 -14.72 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.84 -26.21 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 64.53 110.924 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 655' ' ' ASP . 13.2 t -118.34 -24.92 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 65.41 111.166 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.631 HD21 HG23 ' A' ' 637' ' ' ILE . 6.3 mt -54.69 160.2 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 62.34 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -89.26 162.56 36.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.531 0.681 . . . . 74.21 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.64 28.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.626 2.218 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -54.77 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.83 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 5.2 m -57.26 -40.44 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 74.41 111.139 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.729 HD21 ' HD3' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -54.78 -46.76 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.916 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -70.41 -34.38 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 75.23 110.905 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.66 -45.3 63.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.844 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.633 ' CD1' HD11 ' A' ' 637' ' ' ILE . 5.2 mt -67.14 -49.24 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 43.42 110.934 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.686 ' HA ' HD11 ' A' ' 618' ' ' LEU . 46.7 tt0 -55.77 -27.32 50.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.817 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -34.11 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.845 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -79.09 -47.21 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.91 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.471 HG23 ' CD2' ' A' ' 625' ' ' LEU . 7.3 p -56.78 -33.14 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.1 111.098 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.8 m -76.99 -34.75 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.157 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 39.5 t -74.19 -35.42 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 51.55 110.861 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -50.23 11.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.862 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 1.026 HD23 HD11 ' A' ' 625' ' ' LEU . 0.2 OUTLIER -72.69 -28.13 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.89 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.62 170.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.887 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 -172.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 74.23 110.894 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 75.42 110.964 179.8 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.751 0.31 . . . . 74.12 111.15 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.759 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 7.5 m95 -73.29 155.51 39.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.873 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -136.22 174.5 10.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 64.41 110.83 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 630' ' ' LEU . 68.1 t -150.39 143.07 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.24 111.156 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -136.22 108.97 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 44.33 110.963 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 165.44 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.92 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 8.3 t -134.51 179.84 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 53.34 110.827 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.92 -26.3 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 54.43 110.918 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.405 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.7 OUTLIER -46.51 163.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 60.22 110.911 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.72 36.61 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.66 2.24 . . . . 71.44 112.296 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -177.43 60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 63.1 110.831 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.405 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 8.9 ttmt -115.56 119.34 35.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.866 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.453 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -116.61 112.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.52 111.156 179.802 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -82.58 103.69 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.87 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 654' ' ' ILE . 5.1 mp -88.3 135.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 70.24 110.91 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 651' ' ' GLU . 25.7 p -147.43 141.76 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 64.03 111.185 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.0 mtp85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 60.53 110.884 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.897 0.38 . . . . 75.33 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.81 112.61 21.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 63.11 110.875 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -104.61 36.6 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.34 110.921 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.04 38.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 71.24 110.877 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.95 -58.86 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.948 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -68.72 -35.16 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.849 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.84 -30.53 71.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 74.42 110.887 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 31.8 m -85.98 106.31 17.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 64.51 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -97.64 156.41 36.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 60.31 110.899 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 74.35 112.322 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 43.6 mtp -150.35 119.22 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.902 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.4 t -80.82 -179.46 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 63.05 110.852 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 612' ' ' TYR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 30.2 p90 -61.63 -25.56 67.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.926 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -60.92 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.906 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.12 -21.83 64.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 74.52 110.836 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.521 ' HE3' HD11 ' B' ' 401' ' ' ILE . 0.0 OUTLIER -70.37 -56.82 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.924 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -28.2 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.88 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -78.91 -55.48 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.946 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.581 HD12 HD12 ' A' ' 622' ' ' ILE . 1.6 pp -61.57 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 73.15 110.937 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 5.5 p -65.48 -47.41 76.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 54.24 110.856 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.99 -48.45 65.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' ASP . . . . . 0.469 ' O ' HD13 ' A' ' 625' ' ' LEU . 7.7 t0 -51.4 -55.31 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 64.33 110.823 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.581 HD12 HD12 ' A' ' 618' ' ' LEU . 60.5 mt -52.14 -35.95 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.081 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -72.75 -35.95 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 624' ' ' LYS . . . . . 0.617 ' HE2' HD21 ' A' ' 675' ' ' LEU . 0.1 OUTLIER -73.03 -28.55 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 64.13 110.868 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.745 ' CD1' HD23 ' A' ' 675' ' ' LEU . 6.5 mp -57.16 161.37 5.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 74.25 110.871 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 164.55 34.2 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.706 2.27 . . . . 75.11 112.324 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.64 -57.82 10.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 64.4 112.535 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -49.3 -37.79 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 73.11 110.884 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.732 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.5 mmtm -67.26 -39.62 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.944 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.732 ' O ' HG12 ' A' ' 634' ' ' VAL . 2.0 tt -63.92 -46.83 83.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.924 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.04 -38.32 38.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 64.11 112.495 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -40.4 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 73.45 110.831 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 629' ' ' LYS . 17.5 t -62.25 -63.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 42.43 111.062 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 630' ' ' LEU . 1.6 p -49.3 -33.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.143 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -47.56 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 61.11 110.838 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.43 -52.26 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 71.51 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.571 HD13 HD13 ' A' ' 654' ' ' ILE . 46.3 mt -60.28 -27.39 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 73.04 111.109 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 638' ' ' GLN . . . . . 0.564 ' HA ' HD13 ' A' ' 644' ' ' LEU . 4.5 mt-30 -63.79 -37.64 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 54.52 110.919 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.23 -24.7 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.906 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.77 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 65.54 110.815 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 642' ' ' PRO . 2.9 tp10 -92.18 108.13 28.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 72.4 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 642' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 53.9 Cg_endo -69.81 -41.68 4.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 75.42 112.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.1 -27.16 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.827 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 644' ' ' LEU . 4.1 tt -47.36 114.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 61.4 110.958 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -141.21 34.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 53.22 110.834 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -68.33 126.5 29.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.05 -33.76 69.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 65.45 110.874 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -111.22 136.37 20.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 70.4 110.88 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -7.44 21.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 74.3 112.326 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.53 16.75 7.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 64.42 110.869 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' B' ' 404' ' ' THR . 73.4 tt0 -148.19 139.68 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.845 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.578 HD12 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.06 139.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 72.54 111.139 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -115.7 99.81 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.55 110.851 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.936 HG22 HD11 ' A' ' 659' ' ' LEU . 8.0 mt -86.32 109.76 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.165 -0.47 . . . . 72.45 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.18 100.91 10.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 659' ' ' LEU . 5.5 t80 -53.7 -34.47 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.64 -27.75 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 75.21 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 p -112.36 11.89 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 64.15 111.134 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.936 HD11 HG22 ' A' ' 654' ' ' ILE . 17.2 mt -92.19 144.16 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.86 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.58 164.11 30.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.566 0.698 . . . . 75.21 110.889 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.05 32.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 62.13 112.338 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -52.55 17.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 73.23 110.76 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.583 HG22 HD11 ' A' ' 667' ' ' LEU . 25.2 m -59.69 -33.83 72.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.115 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 615' ' ' LYS . 1.1 tp -62.8 -44.6 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 61.2 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -40.34 46.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.842 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.44 -55.09 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 53.31 110.866 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.583 HD11 HG22 ' A' ' 663' ' ' THR . 2.9 mt -63.51 -37.5 87.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 72.4 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.433 ' HA ' HG12 ' A' ' 671' ' ' VAL . 23.0 tt0 -63.92 -25.84 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.938 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -75.33 -34.51 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 75.35 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.91 -41.18 37.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.818 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 625' ' ' LEU . 9.1 p -66.78 -32.18 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 70.55 111.159 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.1 m -76.34 -28.72 56.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 73.15 111.191 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.9 t -71.01 -34.26 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 61.34 110.953 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 22.6 t -87.71 -51.0 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.521 . . . . 73.14 110.863 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.745 HD23 ' CD1' ' A' ' 625' ' ' LEU . 0.1 OUTLIER -69.15 -28.2 66.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 71.33 110.901 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 57.63 36.93 27.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.891 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.69 116.38 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 71.02 110.875 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.893 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.754 0.312 . . . . 74.33 111.136 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.714 ' HB3' HD22 ' A' ' 630' ' ' LEU . 7.7 m95 -75.45 154.11 37.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.892 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -133.25 176.34 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 63.12 110.89 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.73 HG23 HD11 ' A' ' 630' ' ' LEU . 90.0 t -150.58 137.5 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 75.35 111.119 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -138.63 110.24 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.44 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 172.56 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 71.53 110.836 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -132.71 178.48 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.913 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -57.95 -28.61 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.898 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.31 165.11 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 70.12 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.03 37.19 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.647 2.231 . . . . 72.14 112.384 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.728 HD12 HD11 ' B' ' 401' ' ' ILE . 0.0 OUTLIER -174.37 56.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 54.35 110.904 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -102.04 98.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 65.05 110.917 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.728 HD11 HD12 ' B' ' 399' ' ' LEU . 2.1 mp -93.41 128.57 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 74.42 111.051 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.64 100.15 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.89 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 634' ' ' VAL . 5.6 mp -91.79 135.95 33.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 71.54 110.987 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 651' ' ' GLU . 21.5 p -148.45 142.21 25.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.13 111.168 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.5 mtp85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 75.41 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.85 0.357 . . . . 62.34 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.61 -70.95 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 62.13 110.826 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 52.92 37.34 24.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 65.22 110.886 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -179.03 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 73.51 110.929 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -60.34 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 52.34 110.876 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -55.88 -35.18 66.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 65.4 110.917 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -30.64 71.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.883 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 91.3 m -90.7 106.09 18.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 51.43 110.865 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.64 156.01 36.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.539 0.685 . . . . 75.32 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.3 Cg_endo -69.78 157.83 59.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.257 . . . . 74.21 112.366 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.4 mmm -128.64 128.13 43.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 9.2 m -95.39 178.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.865 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 612' ' ' TYR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 26.7 p90 -68.24 -28.06 66.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 74.1 110.907 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -61.1 2.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 62.33 110.925 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -29.17 69.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 74.12 110.899 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.753 ' HA ' HD23 ' A' ' 618' ' ' LEU . 69.5 mttt -66.66 -60.54 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 64.02 110.886 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.645 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -49.46 -28.11 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.894 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.17 -42.41 46.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.852 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.753 HD23 ' HA ' ' A' ' 615' ' ' LYS . 0.5 OUTLIER -66.61 -33.38 75.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 63.02 110.863 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.5 -50.21 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 71.3 110.849 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 14.7 tp -74.99 -44.49 47.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 65.52 110.97 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -50.01 -61.17 2.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 61.53 110.915 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.767 HD13 HG11 ' A' ' 633' ' ' VAL . 85.4 mt -55.78 -34.99 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 61.31 111.103 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 60.42 110.889 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.05 110.942 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.68 161.04 77.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 75.11 110.904 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.61 33.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 75.13 112.337 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.63 -41.31 42.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 64.42 112.493 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -49.76 -40.06 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 70.14 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -52.29 19.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 41.13 110.952 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.768 HD21 HD12 ' B' ' 403' ' ' LEU . 0.6 OUTLIER -54.75 -51.94 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 72.0 110.948 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.83 -46.0 9.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.776 -0.726 . . . . 61.4 112.443 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -41.42 99.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 75.34 110.897 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.767 HG11 HD13 ' A' ' 622' ' ' ILE . 87.3 t -69.55 -59.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 43.23 111.085 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 630' ' ' LEU . 5.9 t -47.78 -33.51 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 61.41 111.105 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.37 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.823 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.44 HG21 ' CG ' ' A' ' 666' ' ' GLU . 2.1 mt -50.78 -59.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 75.11 111.14 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.537 HD13 HD13 ' A' ' 654' ' ' ILE . 13.2 mt -66.13 -23.7 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 74.35 111.076 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -61.38 -37.98 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 35.3 110.953 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 -24.19 15.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.902 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -78.49 -32.62 48.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.83 115.39 51.71 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.64 0.733 . . . . 51.02 110.84 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -39.37 6.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 75.2 112.361 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 2.0 t -54.91 -33.57 62.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.896 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.68 87.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 50.11 110.938 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -113.35 41.35 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.885 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -117.7 142.77 46.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 63.42 110.908 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.19 7.49 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 42.11 110.823 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 648' ' ' ASN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 649' ' ' PRO . 18.9 t-20 -104.05 99.36 16.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 73.01 110.951 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 649' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 648' ' ' ASN . 53.9 Cg_endo -69.73 -8.0 22.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 74.44 112.354 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 650' ' ' ASP . . . . . 0.455 ' HA ' ' CG ' ' B' ' 405' ' ' ARG . 1.5 t70 -78.6 0.44 26.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' B' ' 404' ' ' THR . 0.3 OUTLIER -144.24 124.31 13.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 74.45 110.833 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.468 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.56 140.58 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.51 111.162 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -118.14 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 70.12 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.792 HD12 HD23 ' B' ' 403' ' ' LEU . 18.1 mt -96.21 108.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 65.13 111.116 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.58 103.73 9.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.913 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.745 ' CZ ' HD21 ' A' ' 618' ' ' LEU . 19.6 m-85 -60.16 -30.54 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 72.45 110.883 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.66 -31.6 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.1 t -114.35 -24.52 8.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.194 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.4 tp -55.56 153.65 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.946 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 660' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 664' ' ' LEU . 0.1 OUTLIER -88.11 161.49 43.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 70.55 110.915 179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 661' ' ' PRO . . . . . 0.408 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.1 Cg_endo -69.75 -33.52 16.46 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.714 2.276 . . . . 63.21 112.324 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -57.53 -53.17 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 60.23 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.675 ' O ' HD22 ' A' ' 667' ' ' LEU . 94.7 m -67.11 -46.34 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 53.22 111.138 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -49.47 -47.31 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 73.44 110.928 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.6 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.88 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' GLU . . . . . 0.44 ' CG ' HG21 ' A' ' 636' ' ' ILE . 4.0 tp10 -56.26 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 63.5 110.884 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 663' ' ' THR . 0.3 OUTLIER -51.69 -57.76 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.923 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.598 ' HA ' HG12 ' A' ' 671' ' ' VAL . 3.1 tt0 -51.83 -35.07 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.91 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -33.56 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 71.51 110.863 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -56.44 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.1 p -55.57 -31.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 70.43 111.15 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 58.8 m -75.06 -35.74 61.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 74.03 111.188 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.9 t -72.73 -32.35 65.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 64.34 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 1.7 t -82.06 -47.71 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 72.02 110.871 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.21 14.62 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.885 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 59.01 -171.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 71.54 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -141.01 122.32 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.852 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 17.8 tttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 53.42 110.876 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.76 0.314 . . . . 54.03 111.188 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.518 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 12.5 m95 -76.77 170.21 16.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 64.23 110.877 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -155.6 172.73 17.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 65.04 110.877 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.5 HG23 HD13 ' B' ' 403' ' ' LEU . 3.7 p -140.94 154.58 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 41.23 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -160.88 123.21 3.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 63.05 110.84 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.19 151.78 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.862 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.47 -172.22 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.21 110.878 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -51.66 -31.93 27.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 64.35 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 397' ' ' ASN . . . . . 0.423 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -47.37 163.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 70.21 110.922 -179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -18.53 37.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.795 2.33 . . . . 72.55 112.368 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.645 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -178.55 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.865 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 400' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 12.3 ttmt -106.31 92.09 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.954 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.71 HD12 HD21 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -83.3 110.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.07 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.14 107.97 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 63.55 110.875 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.792 HD23 HD12 ' A' ' 654' ' ' ILE . 3.6 mm? -93.55 142.14 27.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.913 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 651' ' ' GLU . 56.1 p -149.18 141.1 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 51.1 111.147 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 405' ' ' ARG . . . . . 0.455 ' CG ' ' HA ' ' A' ' 650' ' ' ASP . 4.3 mtt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 61.14 110.878 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.812 0.339 . . . . 54.55 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.6 -74.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 72.35 110.876 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 51.88 35.0 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 74.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -179.8 35.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.931 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.8 136.79 36.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 73.23 110.88 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -92.24 -34.2 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 53.05 110.818 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.22 18.8 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 71.23 110.921 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.3 p -50.7 107.26 0.16 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 64.43 110.857 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -83.65 153.3 64.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 63.42 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' PRO . . . . . 0.403 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.8 Cg_endo -69.74 150.0 67.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.62 2.214 . . . . 74.03 112.353 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 18.0 mmm -116.12 106.84 14.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 64.3 110.922 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.7 155.76 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.13 110.838 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -49.5 -31.78 10.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 70.05 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -62.56 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.846 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -70.71 -30.72 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 63.45 110.816 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' LYS . . . . . 0.728 ' HG2' HD22 ' A' ' 664' ' ' LEU . 5.6 mtmp? -64.14 -50.35 68.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.884 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 616' ' ' ARG . . . . . 0.658 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -56.36 -31.5 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.888 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -39.84 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.936 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 618' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 622' ' ' ILE . 4.1 mm? -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.45 110.836 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.33 -54.46 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 54.03 110.83 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.82 -51.1 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 61.32 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' ASP . . . . . 0.646 ' HB3' HG21 ' A' ' 671' ' ' VAL . 1.2 m-20 -49.2 -59.51 3.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 70.13 110.902 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 622' ' ' ILE . . . . . 0.819 HG22 HD12 ' A' ' 630' ' ' LEU . 3.4 mt -63.33 -33.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.101 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 623' ' ' ASN . . . . . 0.707 ' ND2' HG11 ' B' ' 392' ' ' VAL . 2.0 m120 -62.14 -41.48 98.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.929 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -77.18 -28.49 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.838 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 625' ' ' LEU . . . . . 0.783 HD11 HD13 ' A' ' 675' ' ' LEU . 3.9 mp -63.07 160.84 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 73.35 110.946 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.64 33.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 74.2 112.323 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' GLY . . . . . 0.404 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.35 -51.38 37.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 61.1 112.544 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -49.95 -39.34 40.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.379 . . . . 71.3 110.86 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.74 ' HB3' HD23 ' A' ' 625' ' ' LEU . 0.0 OUTLIER -68.68 -35.95 77.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.926 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 630' ' ' LEU . . . . . 0.819 HD12 HG22 ' A' ' 622' ' ' ILE . 0.6 OUTLIER -71.58 -52.18 19.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.944 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.64 5.07 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.802 -0.713 . . . . 65.25 112.462 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -47.07 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 75.01 110.883 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 633' ' ' VAL . . . . . 0.796 HG21 HG12 ' A' ' 622' ' ' ILE . 89.5 t -63.23 -58.12 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 63.32 111.12 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 634' ' ' VAL . . . . . 0.572 HG22 ' HG ' ' B' ' 403' ' ' LEU . 7.9 t -50.01 -34.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.129 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -37.34 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.895 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 636' ' ' ILE . . . . . 0.464 ' HB ' HD11 ' A' ' 667' ' ' LEU . 1.0 OUTLIER -70.55 -58.72 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 72.04 111.144 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 637' ' ' ILE . . . . . 0.543 HD13 HD13 ' A' ' 654' ' ' ILE . 47.3 mt -55.17 -40.37 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 63.2 111.189 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 638' ' ' GLN . . . . . 0.414 ' O ' HD22 ' A' ' 644' ' ' LEU . 12.3 pt20 -75.33 -14.19 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.878 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 14.9 t -88.38 -26.03 22.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -103.55 -34.51 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 61.02 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' GLU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 642' ' ' PRO . 1.3 tt0 -50.24 107.24 0.76 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.74 . . . . 74.55 110.856 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 642' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 53.8 Cg_endo -69.84 -39.16 6.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.626 2.217 . . . . 73.12 112.333 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.49 -34.65 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.856 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 644' ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' ' 638' ' ' GLN . 2.8 tp -49.03 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 65.43 110.91 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 45.62 45.86 11.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.93 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.26 155.03 39.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.867 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 7.4 m -98.75 8.11 45.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 65.23 110.819 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -107.58 91.9 7.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.632 0.729 . . . . 75.2 110.949 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.8 37.3 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.719 2.279 . . . . 64.3 112.317 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -8.3 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.41 110.859 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' GLU . . . . . 0.445 ' HA ' HG22 ' B' ' 404' ' ' THR . 4.8 tt0 -140.61 132.52 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.864 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 652' ' ' ILE . . . . . 0.489 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.27 143.76 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 72.43 111.139 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 97.75 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 65.54 110.915 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' ILE . . . . . 0.819 HD12 HD23 ' B' ' 403' ' ' LEU . 22.0 mt -89.97 108.89 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.31 111.155 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 655' ' ' ASP . . . . . 0.581 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.8 OUTLIER -114.93 94.19 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.843 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 656' ' ' PHE . . . . . 0.695 ' CE2' HD12 ' B' ' 399' ' ' LEU . 7.2 m-30 -51.88 -27.82 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 71.5 110.903 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -54.22 -35.15 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.581 HG22 ' HB2' ' A' ' 655' ' ' ASP . 7.6 t -112.5 -20.94 11.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 65.13 111.094 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 659' ' ' LEU . . . . . 0.486 HD23 ' HG ' ' A' ' 664' ' ' LEU . 5.5 tp -55.39 144.79 24.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.982 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.39 161.45 42.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 71.01 110.841 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 661' ' ' PRO . . . . . 0.403 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.5 Cg_endo -69.76 -38.04 8.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 64.01 112.29 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.9 -48.73 60.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 53.43 110.879 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 663' ' ' THR . . . . . 0.659 ' O ' HD22 ' A' ' 667' ' ' LEU . 84.7 m -70.94 -49.92 40.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 61.24 111.142 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 664' ' ' LEU . . . . . 0.728 HD22 ' HG2' ' A' ' 615' ' ' LYS . 0.3 OUTLIER -48.95 -48.27 43.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.956 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -63.59 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.14 110.942 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -56.55 19.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.874 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 663' ' ' THR . 0.4 OUTLIER -51.13 -47.7 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.45 110.892 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 668' ' ' GLU . . . . . 0.606 ' HA ' HD11 ' A' ' 618' ' ' LEU . 43.8 tt0 -51.97 -35.49 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.884 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.86 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.91 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -83.43 -51.82 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 61.54 110.977 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 621' ' ' ASP . 5.0 p -56.57 -32.09 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 74.04 111.156 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.7 m -78.76 -34.62 45.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 52.24 111.145 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.0 t -69.06 -32.95 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 54.21 110.907 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 79.9 m -87.38 -50.51 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.783 HD13 HD11 ' A' ' 625' ' ' LEU . 12.8 tp -66.97 -28.09 67.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.03 110.898 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.94 41.17 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.856 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.56 169.15 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.55 110.934 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.2 tttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 74.43 110.955 179.798 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 389' ' ' THR . . . . . 0.404 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.808 0.337 . . . . 73.22 111.133 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 390' ' ' TRP . . . . . 0.541 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 7.6 m95 -88.56 173.7 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 64.21 110.936 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -146.13 161.17 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.43 110.845 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 392' ' ' VAL . . . . . 0.707 HG11 ' ND2' ' A' ' 623' ' ' ASN . 3.9 p -137.81 142.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 70.03 111.178 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -141.64 111.19 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.923 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 158.44 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 73.54 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 7.8 t -124.99 -170.91 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 63.43 110.908 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -63.58 -24.5 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.994 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -45.75 162.37 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 74.03 110.896 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -17.47 37.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 73.32 112.327 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 399' ' ' LEU . . . . . 0.695 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -179.33 60.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 63.53 110.89 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -112.07 121.48 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.902 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 401' ' ' ILE . . . . . 0.439 HD12 HD21 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -122.11 113.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.183 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.07 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.881 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 403' ' ' LEU . . . . . 0.819 HD23 HD12 ' A' ' 654' ' ' ILE . 3.2 mm? -96.8 138.48 34.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 404' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 651' ' ' GLU . 25.5 p -148.31 143.24 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.163 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.01 110.845 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.825 0.345 . . . . 74.14 110.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 157.99 36.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 64.41 110.884 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.4 Cg_endo -69.68 157.96 58.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 72.2 112.372 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.507 ' HB2' HD23 ' A' ' 664' ' ' LEU . 15.8 mmm -117.09 120.76 39.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 61.13 110.867 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.35 149.23 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 53.54 110.85 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -51.3 -33.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.935 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -51.04 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 75.11 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -47.66 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 54.33 110.919 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.477 ' HE3' HD21 ' A' ' 664' ' ' LEU . 5.0 mtpt -52.14 -39.61 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.21 110.934 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.746 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.865 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -57.0 -23.77 48.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.435 HD21 ' CG ' ' A' ' 668' ' ' GLU . 1.0 OUTLIER -77.24 -45.73 25.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.908 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . 0.629 ' HB3' HD11 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -51.7 -45.9 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 61.45 110.903 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.12 -48.59 56.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -52.65 -56.37 15.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.857 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 94.7 mt -51.86 -35.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 44.33 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -72.61 -33.21 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.1 110.934 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.99 -28.7 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.896 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 1.026 HD11 HG23 ' A' ' 671' ' ' VAL . 14.7 mt -57.89 154.62 27.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 54.03 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 53.8 Cg_endo -69.78 165.31 31.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 53.44 112.346 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -49.05 -56.34 10.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 55.02 112.483 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -50.43 -38.31 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 61.53 110.912 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -67.53 -35.35 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 73.24 110.926 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' B' ' 390' ' ' TRP . 0.6 OUTLIER -65.46 -47.51 75.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 61.32 110.959 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.3 -40.28 45.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 62.22 112.509 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -45.27 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 74.12 110.839 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 629' ' ' LYS . 38.4 t -62.11 -56.61 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 65.3 111.13 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 1.044 HG22 HD23 ' B' ' 403' ' ' LEU . 19.4 t -51.04 -33.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 75.01 111.114 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -64.32 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 55.34 110.859 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.461 HD12 HD23 ' A' ' 667' ' ' LEU . 3.7 mt -56.28 -51.9 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.144 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.757 HD13 HD13 ' A' ' 654' ' ' ILE . 5.9 mt -72.16 -31.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.131 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -65.42 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.88 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -27.55 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.866 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.52 -32.85 48.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.658 0.742 . . . . 75.15 110.818 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.804 0.252 . . . . 61.51 112.368 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 10.68 17.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.847 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.437 ' HG2' HG22 ' B' ' 404' ' ' THR . 2.7 tt0 -144.91 145.38 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.877 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.447 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -142.25 141.92 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 61.02 111.124 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -116.06 99.67 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.774 HD11 HD22 ' B' ' 403' ' ' LEU . 4.8 mt -95.84 109.13 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.18 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -121.23 99.06 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.893 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' B' ' 399' ' ' LEU . 13.9 m-30 -58.13 -20.35 39.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.893 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.32 -31.48 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.7 t -117.48 -24.92 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 62.02 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -55.36 156.97 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.931 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -88.72 163.35 35.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.703 . . . . 55.15 110.902 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . 0.4 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.6 Cg_endo -69.76 -30.08 22.85 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.691 2.261 . . . . 53.41 112.324 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -61.63 -52.52 64.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 63.22 110.814 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 51.6 m -64.12 -45.95 86.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 55.13 111.139 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.1 mp -50.41 -57.52 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 43.12 110.944 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -64.19 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.871 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.48 -44.58 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 54.11 110.905 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.72 HD11 HD11 ' A' ' 637' ' ' ILE . 10.4 mt -70.15 -35.5 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.33 110.898 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.53 ' HA ' HG12 ' A' ' 671' ' ' VAL . 13.9 tm-20 -64.04 -33.03 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.901 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.02 110.866 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -83.93 -36.28 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 64.5 110.924 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 1.026 HG23 HD11 ' A' ' 625' ' ' LEU . 4.4 p -75.07 -31.97 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 71.54 111.153 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -79.54 -33.0 42.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.11 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 55.11 110.855 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.752 0.311 . . . . 72.04 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.682 ' HB3' HD13 ' A' ' 630' ' ' LEU . 5.6 m95 -71.12 155.13 41.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -126.01 167.89 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.901 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.543 HG22 ' CD1' ' B' ' 403' ' ' LEU . 73.2 t -151.7 145.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 74.11 111.134 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.3 117.95 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 54.24 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 172.49 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.874 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.0 -172.51 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.818 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -60.73 -27.96 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 54.53 110.888 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.52 164.62 0.24 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.679 0.752 . . . . 71.15 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -18.57 37.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 72.24 112.373 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.746 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.2 OUTLIER -176.68 57.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 60.55 110.937 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -103.93 101.83 11.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.874 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.638 HG22 ' CD1' ' B' ' 403' ' ' LEU . 1.5 mp -92.31 114.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.3 111.097 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.35 106.32 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.902 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 1.044 HD23 HG22 ' A' ' 634' ' ' VAL . 1.7 mp -99.94 136.1 40.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 61.5 110.916 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.437 HG22 ' HG2' ' A' ' 651' ' ' GLU . 29.5 p -150.32 146.12 26.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.143 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.906 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.868 0.366 . . . . 43.23 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -98.38 153.39 38.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 63.23 110.827 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.71 48.7 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 71.5 112.383 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 7.2 mmm -132.39 132.37 42.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 73.43 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.66 177.07 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.825 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -62.82 -25.99 68.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 74.45 110.935 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -60.72 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 62.43 110.866 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.76 -25.54 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.03 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -70.77 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.847 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.488 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -48.38 -33.22 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.926 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -71.29 -51.85 22.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 61.34 110.905 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 619' ' ' SER . 0.1 OUTLIER -60.56 -40.59 92.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 54.45 110.989 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . 0.539 ' N ' HD23 ' A' ' 618' ' ' LEU . 53.6 p -51.6 -47.11 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 73.24 110.876 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.02 -44.24 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.926 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.65 -60.41 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 71.24 110.903 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.762 HD13 HG11 ' A' ' 633' ' ' VAL . 87.4 mt -57.83 -35.79 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 75.44 111.159 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . 0.568 ' ND2' HG11 ' B' ' 392' ' ' VAL . 2.2 t-20 -62.78 -35.71 80.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.2 110.87 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -69.04 -28.61 66.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.894 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.461 HD23 ' HG3' ' A' ' 629' ' ' LYS . 6.4 mp -69.17 161.43 73.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 61.24 110.874 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.39 34.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 72.31 112.275 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.11 -39.68 42.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 31.12 112.502 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -49.83 -39.33 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 72.01 110.871 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 633' ' ' VAL . 30.9 mmmt -70.97 -35.3 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.919 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.905 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -63.71 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.924 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.76 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 52.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -72.69 -49.88 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 74.22 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 622' ' ' ILE . 61.2 t -68.69 -58.55 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 51.44 111.151 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.905 HG11 HD23 ' A' ' 630' ' ' LEU . 10.8 m -46.55 -31.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.108 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -67.55 -46.27 73.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 64.12 110.903 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.27 -45.39 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 75.45 111.112 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 667' ' ' LEU . 2.8 mp -56.2 -60.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.24 111.146 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.681 ' HB3' HD11 ' A' ' 652' ' ' ILE . 19.7 pt20 -62.04 -14.79 39.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.14 110.93 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -42.47 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -105.1 -35.27 7.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 53.33 110.845 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 72.22 110.906 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 N--CA 1.465 -0.188 0 CA-C-O 120.9 0.292 . . . . 42.44 112.398 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 650' ' ' ASP . 0.0 OUTLIER -73.98 -3.29 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 53.34 110.876 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' B' ' 404' ' ' THR . 56.0 tt0 -129.34 138.1 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.865 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.7 OUTLIER -141.51 139.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 74.15 111.129 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -116.43 98.37 6.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 75.43 110.893 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.685 ' CD1' HD23 ' B' ' 403' ' ' LEU . 4.8 mt -98.32 109.94 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 70.41 111.17 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.33 104.9 8.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 62.21 110.924 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.666 ' CE2' HD12 ' B' ' 399' ' ' LEU . 21.7 m-85 -57.58 -27.7 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 71.15 110.873 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -49.21 -32.8 11.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 55.31 110.94 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.5 t -118.74 -23.72 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.05 111.153 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.84 151.38 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.919 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.613 ' O ' HD12 ' A' ' 664' ' ' LEU . 0.8 OUTLIER -88.52 160.78 44.11 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 70.43 110.935 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.35 10.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.707 2.271 . . . . 75.51 112.346 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -53.47 -48.27 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 70.12 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.467 HG21 ' HA ' ' A' ' 637' ' ' ILE . 57.4 m -74.67 -40.77 61.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 75.43 111.083 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 660' ' ' LYS . 0.1 OUTLIER -53.84 -56.64 15.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 53.01 110.934 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -61.55 -35.76 78.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.939 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -50.41 -35.29 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.694 HD13 HD11 ' A' ' 637' ' ' ILE . 1.4 mt -75.06 -49.78 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 74.12 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.421 ' HA ' HG12 ' A' ' 671' ' ' VAL . 16.7 tt0 -55.84 -26.54 47.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.857 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.79 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 64.32 110.913 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -77.25 -39.62 47.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.954 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 668' ' ' GLU . 8.6 p -67.24 -31.47 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.151 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 82.7 m -74.36 -33.32 63.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 65.14 111.099 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.01 110.816 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.757 0.313 . . . . 74.44 111.143 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.796 ' HB3' HD22 ' A' ' 630' ' ' LEU . 12.2 m95 -92.05 155.05 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 74.41 110.905 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -125.51 169.96 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.867 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.568 HG11 ' ND2' ' A' ' 623' ' ' ASN . 7.6 p -135.52 147.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 60.15 111.191 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -168.14 119.46 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 71.45 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.09 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 64.23 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.09 -174.53 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 54.45 110.871 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.11 -31.14 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 54.25 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.415 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.8 m-20 -47.43 164.56 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 72.44 110.955 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.724 2.282 . . . . 74.43 112.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.666 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -178.59 59.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 71.53 110.909 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 18.3 ttmt -107.2 104.45 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.937 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.49 ' CG2' HG23 ' B' ' 392' ' ' VAL . 1.6 mp -89.04 109.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 74.34 111.142 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.03 105.4 17.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.889 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.685 HD23 ' CD1' ' A' ' 654' ' ' ILE . 2.4 mm? -102.4 142.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 54.31 110.943 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 651' ' ' GLU . 35.9 p -147.77 144.07 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 71.51 111.16 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 63.23 110.869 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 73.0 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.857 0.361 . . . . 70.03 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -88.81 153.38 49.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 75.43 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.6 Cg_endo -69.72 152.47 69.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 51.1 112.389 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.684 ' HB2' HD23 ' A' ' 664' ' ' LEU . 66.8 mmm -120.57 131.52 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.54 110.803 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.92 170.49 9.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 51.04 110.852 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -60.55 -29.31 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.909 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -57.35 -63.15 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 75.31 110.935 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -67.13 -31.29 71.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.589 ' HE3' HD21 ' A' ' 664' ' ' LEU . 10.1 mtpt -64.49 -46.76 81.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.806 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -57.06 -30.21 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.804 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 7.4 tm0? -68.43 -36.01 78.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.897 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.79 -43.0 97.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.921 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -45.09 92.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 71.11 110.861 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.73 -55.31 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 73.32 110.902 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . 0.57 ' HB3' HG21 ' A' ' 671' ' ' VAL . 1.5 t0 -51.87 -60.95 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.851 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.5 -47.78 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.154 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.14 -36.08 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.21 110.893 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -76.05 -28.61 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.917 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.797 HD22 HG23 ' A' ' 671' ' ' VAL . 3.5 mp -60.96 159.79 24.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 70.31 110.917 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 164.43 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.615 2.21 . . . . 61.11 112.271 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.41 -55.51 19.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 53.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -50.08 -37.0 31.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 75.03 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -65.54 -40.34 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 71.42 110.906 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -67.29 -43.42 81.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.937 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.57 -43.81 36.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.736 . . . . 22.45 112.464 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.04 -46.9 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 54.52 110.844 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 629' ' ' LYS . 66.6 t -56.89 -55.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 63.01 111.116 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 1.002 HG22 HD23 ' B' ' 403' ' ' LEU . 21.8 t -52.07 -34.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 75.51 111.139 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 638' ' ' GLN . 12.3 t60 -62.35 -33.07 74.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.84 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.3 mt -76.08 -33.23 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 71.45 111.197 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.702 HD11 HD13 ' A' ' 667' ' ' LEU . 57.0 mt -77.16 -44.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.161 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.46 HE21 HG12 ' A' ' 634' ' ' VAL . 4.6 pt20 -72.26 -14.4 61.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 62.54 110.913 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 3.9 m -87.36 -31.38 20.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.834 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.33 -33.61 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.919 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.665 0.745 . . . . 63.53 111.006 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 CA--C 1.526 0.099 0 CA-C-O 120.757 0.232 . . . . 72.34 112.333 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 7.63 23.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.85 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' B' ' 404' ' ' THR . 7.1 tt0 -145.15 141.14 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.487 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.21 143.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.138 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 99.09 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.903 HD11 HD22 ' B' ' 403' ' ' LEU . 16.0 mt -89.9 109.07 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 71.35 111.149 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -116.08 89.26 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 70.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.605 ' CE2' HD12 ' B' ' 399' ' ' LEU . 4.0 m-30 -51.18 -28.07 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.792 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.36 -31.47 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 63.04 110.889 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.2 t -114.67 -20.85 10.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 62.32 111.169 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.713 HD23 ' CD1' ' A' ' 664' ' ' LEU . 5.2 tp -55.37 145.2 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 72.43 110.881 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 162.66 38.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 74.41 110.922 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . 0.407 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.2 Cg_endo -69.77 -34.78 13.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.601 2.2 . . . . 71.41 112.349 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -55.56 -43.81 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.824 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 7.1 m -78.31 -37.87 43.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.43 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.713 ' CD1' HD23 ' A' ' 659' ' ' LEU . 1.1 mp -53.23 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 44.2 110.871 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -61.71 -34.44 75.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.886 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.57 -38.36 31.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.866 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.702 HD13 HD11 ' A' ' 637' ' ' ILE . 1.3 mt -73.62 -47.6 38.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.13 110.891 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -52.68 -29.63 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 71.4 110.945 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -36.83 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.86 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -44.63 34.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 61.2 110.863 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.797 HG23 HD22 ' A' ' 625' ' ' LEU . 8.5 p -60.15 -32.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 63.32 111.08 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.5 m -75.71 -33.54 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.3 111.182 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.41 110.827 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.756 0.312 . . . . 70.33 111.11 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.677 ' HB3' HD22 ' A' ' 630' ' ' LEU . 5.8 m95 -76.18 152.27 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 64.5 110.895 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.23 167.68 13.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.776 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.626 HG13 HD12 ' B' ' 403' ' ' LEU . 85.7 t -150.88 146.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 70.5 111.156 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -147.1 110.31 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.949 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 176.94 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 70.14 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -140.21 -168.97 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.845 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -69.79 -27.67 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.906 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.421 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -47.12 163.87 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.722 . . . . 71.34 110.87 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -18.66 36.95 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 62.13 112.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.806 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.2 OUTLIER -173.43 58.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.94 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 25.9 ttmt -112.16 123.18 49.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.906 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.685 HD12 ' HB ' ' A' ' 654' ' ' ILE . 0.2 OUTLIER -128.28 118.29 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.15 111.129 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.16 106.37 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.874 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 1.002 HD23 HG22 ' A' ' 634' ' ' VAL . 3.0 mp -94.24 134.38 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.942 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 651' ' ' GLU . 20.7 p -146.65 148.09 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 63.22 111.116 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.877 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 33.3 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.932 0.396 . . . . 70.4 110.838 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -97.57 156.34 36.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 51.11 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.64 68.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 71.42 112.38 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.452 ' HB2' HD23 ' A' ' 664' ' ' LEU . 60.2 mmm -118.44 109.0 15.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.873 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.1 t -72.02 167.5 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.32 110.902 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 15.4 p90 -53.79 -27.98 32.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.913 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.76 -61.98 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 71.15 110.921 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.58 -32.06 72.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 75.45 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 612' ' ' TYR . 2.5 mtpt -62.81 -54.82 33.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.849 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.672 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.57 -31.24 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 71.11 110.889 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -65.1 -39.18 92.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.24 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.625 HD11 ' CA ' ' A' ' 668' ' ' GLU . 4.2 mm? -64.86 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 61.51 110.952 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -51.45 68.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 61.33 110.839 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.95 -53.17 13.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -50.64 -53.97 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 64.2 110.883 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.81 -27.73 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 63.11 111.14 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -87.87 -0.72 57.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -100.68 -29.61 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 63.01 110.869 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.827 HD22 ' HB3' ' A' ' 629' ' ' LYS . 1.5 pp -70.49 157.74 89.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 65.14 110.911 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 625' ' ' LEU . 53.4 Cg_endo -69.82 163.71 37.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 74.24 112.304 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.65 -45.19 47.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 63.14 112.55 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.54 -39.96 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 70.43 110.886 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.827 ' HB3' HD22 ' A' ' 625' ' ' LEU . 28.3 mmmt -67.74 -38.35 83.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.869 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.85 HD23 HG11 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -55.17 -60.64 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.887 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.7 -36.3 8.16 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.749 -0.738 . . . . 72.42 112.459 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.93 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 74.41 110.825 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.543 HG13 HD12 ' A' ' 667' ' ' LEU . 98.9 t -66.11 -57.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.176 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 1.015 HG12 HD23 ' B' ' 403' ' ' LEU . 9.0 m -48.6 -33.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 71.32 111.114 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.67 -42.16 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.824 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.6 mt -53.53 -51.53 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 60.11 111.089 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.442 HD11 ' HG ' ' A' ' 667' ' ' LEU . 1.5 mp -51.22 -64.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.144 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.532 ' HB3' HD11 ' A' ' 652' ' ' ILE . 14.8 pt20 -55.43 -22.43 20.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 71.14 110.855 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.64 75.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.32 110.862 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -121.04 17.77 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.813 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.679 0.752 . . . . 63.14 110.899 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.149 0 CA-C-O 120.803 0.251 . . . . 75.1 112.369 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -93.29 23.72 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.845 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -145.44 136.61 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 55.42 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.1 OUTLIER -141.79 141.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 63.42 111.124 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -124.23 98.43 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 62.11 110.832 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.738 ' CD1' HD22 ' B' ' 403' ' ' LEU . 2.2 mp -92.79 109.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.42 111.145 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -124.01 95.62 4.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 71.05 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.778 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.4 m-30 -53.68 -25.51 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.91 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -34.77 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.908 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -117.27 -22.66 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 75.14 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -55.2 160.44 2.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.926 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.41 ' HB2' ' HD2' ' A' ' 661' ' ' PRO . 0.0 OUTLIER -88.91 156.8 49.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 61.2 110.912 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 660' ' ' LYS . 53.5 Cg_endo -69.74 -30.81 21.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.617 2.211 . . . . 71.43 112.452 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -42.8 99.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 62.23 110.863 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.746 ' O ' HD22 ' A' ' 667' ' ' LEU . 7.8 m -73.45 -47.49 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 64.02 111.144 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.623 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.0 mp -46.2 -54.83 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.958 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.31 -32.83 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.0 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.9 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.746 HD22 ' O ' ' A' ' 663' ' ' THR . 0.3 OUTLIER -52.43 -47.58 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 64.43 110.908 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.625 ' CA ' HD11 ' A' ' 618' ' ' LEU . 30.2 tt0 -51.68 -38.13 53.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 53.52 110.833 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -62.6 -35.22 78.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.819 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.17 -52.86 6.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.935 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.728 HG23 HD23 ' A' ' 625' ' ' LEU . 2.9 p -56.52 -31.21 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 61.43 111.112 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 68.2 m -78.83 -32.32 46.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.1 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.913 -179.87 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.766 0.317 . . . . 75.21 111.165 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.74 ' HB3' HD22 ' A' ' 630' ' ' LEU . 8.8 m95 -92.46 160.51 15.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.55 110.884 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -120.43 172.04 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.736 HG23 HD11 ' B' ' 403' ' ' LEU . 9.1 p -143.83 147.17 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 64.31 111.146 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -165.84 123.86 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.13 172.3 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 71.23 110.825 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -133.02 -171.86 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.895 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.55 -27.32 69.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.1 m-80 -47.31 164.75 0.23 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 74.21 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -16.76 37.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 54.41 112.348 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.778 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -179.48 58.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 53.41 110.933 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 27.0 ttmt -107.14 112.37 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.877 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.635 HG22 ' CD1' ' B' ' 403' ' ' LEU . 1.7 mp -101.96 114.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 72.43 111.171 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 105.03 17.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 63.35 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 1.015 HD23 HG12 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -102.96 139.06 39.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.889 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.0 p -151.01 145.65 25.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 72.13 111.162 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.6 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 99.4 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.916 0.388 . . . . 73.45 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.09 155.8 40.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 62.41 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.07 47.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 32.42 112.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 52.3 mmm -119.1 107.0 12.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.03 110.88 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 12.5 m -59.36 155.67 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.53 -35.69 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 74.03 110.933 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.34 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.886 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -59.44 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 71.22 110.901 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 0.6 OUTLIER -60.37 -33.64 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.867 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.758 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -51.16 -40.55 58.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 75.12 110.838 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -73.31 -31.86 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 73.55 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 668' ' ' GLU . 4.4 mp -63.92 -46.47 84.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.953 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . 0.564 ' OG ' HD11 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -57.1 -50.45 72.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.844 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -56.05 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.974 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . 0.441 ' OD2' HG22 ' A' ' 671' ' ' VAL . 38.2 t0 -50.57 -58.04 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 63.52 110.853 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.695 HD13 HG11 ' A' ' 633' ' ' VAL . 71.8 mt -57.78 -35.8 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.42 111.088 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -66.35 -41.45 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -28.61 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.02 110.939 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 622' ' ' ILE . 24.3 mt -57.49 159.74 8.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.12 110.928 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 164.26 35.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.763 2.309 . . . . 74.12 112.356 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . 0.501 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.21 -55.79 17.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 65.24 112.511 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.57 -38.49 31.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 75.14 110.89 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.7 mmtm -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.1 110.911 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.832 HD21 HD12 ' B' ' 403' ' ' LEU . 0.5 OUTLIER -70.52 -47.87 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.94 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.22 -43.66 9.6 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.76 -0.733 . . . . 51.45 112.524 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -67.06 -47.15 72.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 65.31 110.818 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.772 HG13 HD12 ' A' ' 667' ' ' LEU . 38.1 t -59.87 -59.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 74.14 111.123 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.596 HG22 ' HG ' ' B' ' 403' ' ' LEU . 11.0 t -51.9 -33.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.143 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . 0.47 ' HA ' ' HG2' ' A' ' 638' ' ' GLN . 33.4 t60 -63.87 -29.16 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 71.02 110.9 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.749 ' HB ' HD11 ' A' ' 667' ' ' LEU . 0.9 OUTLIER -75.78 -38.48 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 70.11 111.118 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.727 HD11 ' HG ' ' A' ' 667' ' ' LEU . 4.2 mp -73.36 -46.35 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 64.54 111.158 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 635' ' ' HIS . 4.7 pt20 -67.71 -19.55 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.917 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 52.2 m -95.56 -35.76 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.851 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -80.63 -32.8 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.31 110.872 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.689 0.756 . . . . 64.31 110.927 -179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.78 0.242 . . . . 64.2 112.356 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.94 20.58 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 73.31 110.854 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.456 ' HA ' HG22 ' B' ' 404' ' ' THR . 32.4 tt0 -147.83 136.52 21.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.882 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.576 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.1 142.38 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 70.25 111.133 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -117.0 98.17 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.897 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.837 HD12 HD23 ' B' ' 403' ' ' LEU . 14.4 mt -91.48 109.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 60.24 111.1 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -122.83 94.67 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 72.31 110.914 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.704 ' CG ' HD21 ' A' ' 664' ' ' LEU . 22.2 m-85 -57.39 -28.34 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 72.43 110.913 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -51.2 -31.79 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 70.44 110.872 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.4 t -118.29 -23.52 7.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.15 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.3 160.28 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 65.11 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.563 ' O ' HD12 ' A' ' 664' ' ' LEU . 28.4 mttt -88.34 158.24 49.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.525 0.679 . . . . 62.25 110.862 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.88 7.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.604 2.203 . . . . 70.35 112.335 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -51.56 -45.66 63.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.506 ' O ' HD22 ' A' ' 667' ' ' LEU . 25.0 m -73.88 -51.1 17.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 75.42 111.094 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.704 HD21 ' CG ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -47.06 -47.97 22.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.89 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 64.22 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -51.96 -50.03 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.772 HD12 HG13 ' A' ' 633' ' ' VAL . 1.9 mm? -66.58 -35.09 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.814 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.796 ' HB2' HD21 ' A' ' 618' ' ' LEU . 28.9 tt0 -60.21 -29.9 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 74.12 110.873 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -35.65 58.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.35 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.27 -40.6 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.1 110.938 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.441 HG22 ' OD2' ' A' ' 621' ' ' ASP . 7.3 p -66.17 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 34.5 111.14 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.2 m -78.39 -28.19 46.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 42.31 111.115 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 54.32 110.835 -179.823 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . 0.501 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.876 0.369 . . . . 71.31 111.124 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.486 ' HB3' HD22 ' A' ' 630' ' ' LEU . 6.5 m95 -85.7 172.34 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.887 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.34 165.1 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.834 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.42 HG23 HD22 ' B' ' 403' ' ' LEU . 3.0 p -135.01 148.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 42.41 111.137 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -136.39 96.27 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.922 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 157.39 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 54.22 110.849 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.1 t -129.69 -178.29 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.41 110.887 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -57.39 -25.09 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -45.99 162.33 0.24 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.72 . . . . 74.34 110.92 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -20.79 34.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.744 2.296 . . . . 53.15 112.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.758 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -175.49 60.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.955 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -112.56 117.7 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.815 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -118.77 109.86 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.32 111.188 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -84.29 101.21 11.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 64.53 110.835 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.837 HD23 HD12 ' A' ' 654' ' ' ILE . 3.3 mm? -84.85 137.38 33.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 65.43 110.928 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 651' ' ' GLU . 19.0 p -147.92 143.9 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.43 111.173 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.891 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.85 0.357 . . . . 70.42 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -90.65 154.67 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 54.35 110.813 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 159.95 51.46 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.663 2.242 . . . . 50.24 112.294 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.683 ' HB3' HD22 ' A' ' 664' ' ' LEU . 23.7 mmm -141.98 128.65 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.906 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.77 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 52.33 110.866 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -50.93 -35.35 32.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.911 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.28 -33.31 58.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.32 110.903 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -62.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.878 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.745 ' HG2' HD21 ' A' ' 664' ' ' LEU . 25.6 mmmt -61.92 -28.89 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.21 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.927 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -73.04 -33.9 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.926 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 668' ' ' GLU . 0.8 OUTLIER -61.34 -38.13 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.915 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -45.61 80.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 61.44 110.872 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -54.93 40.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 75.15 110.893 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -51.89 -53.79 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.875 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.94 HD13 HG11 ' A' ' 633' ' ' VAL . 59.8 mt -62.03 -37.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 62.43 111.129 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -64.69 -41.28 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 73.32 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -28.39 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.907 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.631 HD13 ' HE3' ' A' ' 629' ' ' LYS . 24.3 mt -66.84 160.09 71.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.696 0.76 . . . . 73.23 110.851 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 164.42 34.63 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.665 2.244 . . . . 54.25 112.358 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.67 -39.54 38.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 62.01 112.482 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -49.73 -38.79 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 74.13 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.634 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.1 OUTLIER -72.48 -45.67 58.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 64.44 110.866 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.775 HD23 HG11 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -58.57 -55.57 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 72.42 110.89 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.37 -40.65 11.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 71.53 112.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -76.62 -45.88 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 65.14 110.837 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.94 HG11 HD13 ' A' ' 622' ' ' ILE . 90.4 t -64.42 -63.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.13 111.111 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.775 HG11 HD23 ' A' ' 630' ' ' LEU . 10.9 m -50.31 -29.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.43 111.13 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -64.99 -35.11 80.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 65.44 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.71 -46.26 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 654' ' ' ILE . 2.4 mp -50.81 -61.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.167 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.434 ' HB3' HD11 ' A' ' 652' ' ' ILE . 10.7 pt20 -51.48 -29.45 16.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 51.22 110.953 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 t -64.52 -33.04 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.24 110.84 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -120.25 19.23 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 75.01 110.905 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.134 0 CA-C-O 120.783 0.243 . . . . 73.33 112.378 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.6 1.71 32.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 61.25 110.909 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.415 ' HG2' HG22 ' B' ' 404' ' ' THR . 0.9 OUTLIER -142.83 139.91 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.91 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.434 HD11 ' HB3' ' A' ' 638' ' ' GLN . 1.1 tt -142.05 144.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 73.01 111.129 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -119.94 96.7 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 70.53 110.933 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.749 ' CG2' HD11 ' A' ' 659' ' ' LEU . 8.5 mt -85.97 112.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 62.51 111.084 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.53 114.93 17.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.41 110.839 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.574 ' HA ' HD12 ' A' ' 659' ' ' LEU . 0.1 OUTLIER -55.03 -31.34 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.941 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.16 -17.82 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 72.01 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.0 p -118.68 -26.85 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.125 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.749 HD11 ' CG2' ' A' ' 654' ' ' ILE . 13.6 mt -58.99 135.67 57.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.02 110.936 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 165.24 25.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.536 0.684 . . . . 73.2 110.91 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.28 33.84 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.677 2.251 . . . . 73.31 112.331 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.67 -44.62 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 64.52 110.849 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.6 m -58.48 -55.41 35.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.193 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.745 HD21 ' HG2' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -50.73 -49.53 57.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 70.31 110.898 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -31.71 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.863 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -76.0 -38.86 56.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.891 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.554 HD13 HD11 ' A' ' 637' ' ' ILE . 4.9 mt -65.12 -59.95 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 72.21 110.941 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 618' ' ' LEU . 0.2 OUTLIER -52.64 -34.32 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 62.52 110.896 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -62.77 -33.82 75.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 73.21 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.73 -52.93 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.899 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.1 p -58.06 -31.22 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 74.32 111.173 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 89.5 m -79.81 -29.72 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 64.43 111.129 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 52.9 p . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 60.34 110.903 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.727 0.299 . . . . 64.24 111.114 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.513 ' HB3' HD22 ' A' ' 630' ' ' LEU . 10.9 m95 -93.13 155.61 17.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.927 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -125.75 160.47 29.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.482 HG23 ' CG2' ' B' ' 401' ' ' ILE . 7.2 p -129.3 126.55 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.177 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -138.72 97.11 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 65.32 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 175.77 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.928 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.9 t -136.07 -177.54 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.853 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -22.79 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.927 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.04 164.02 0.21 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 72.02 110.934 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.48 37.53 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 74.04 112.324 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.429 ' HG ' ' HB2' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -177.33 58.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.889 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -108.04 129.25 55.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.901 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.482 ' CG2' HG23 ' B' ' 392' ' ' VAL . 1.0 OUTLIER -123.6 116.4 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.53 111.171 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.84 98.34 11.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.895 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.585 HD23 ' CD1' ' A' ' 654' ' ' ILE . 1.6 mm? -97.95 135.12 40.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.959 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 651' ' ' GLU . 12.1 p -142.49 145.56 33.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.108 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.934 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.867 0.365 . . . . 61.24 110.875 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -97.59 153.48 38.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 73.41 110.93 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.09 47.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.26 . . . . 55.32 112.391 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.413 ' HB2' HD23 ' A' ' 664' ' ' LEU . 41.5 mmm -127.83 107.27 9.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 65.15 110.896 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.6 169.85 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 70.1 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.47 -26.74 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.88 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.9 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 55.13 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.45 -23.92 67.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 63.22 110.895 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.404 ' HE3' HD23 ' A' ' 664' ' ' LEU . 5.8 mmtt -74.36 -49.22 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 53.2 110.867 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -32.05 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.858 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -74.93 -48.03 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.955 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 619' ' ' SER . 0.0 OUTLIER -57.35 -39.76 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.2 110.98 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . 0.636 ' N ' HD23 ' A' ' 618' ' ' LEU . 0.5 OUTLIER -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 41.04 110.882 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.55 -50.77 23.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 64.31 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.62 -52.11 50.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 62.24 110.878 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.85 HD13 HG11 ' A' ' 633' ' ' VAL . 63.2 mt -67.41 -33.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.156 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . 0.674 ' ND2' HG11 ' B' ' 392' ' ' VAL . 2.0 t-20 -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.931 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -73.14 -28.64 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.895 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.655 HD13 ' CD ' ' A' ' 629' ' ' LYS . 24.4 mt -61.97 159.96 32.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 74.22 110.947 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 164.61 33.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 44.34 112.414 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.97 -40.56 43.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 62.52 112.488 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.5 -39.02 32.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 73.51 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.4 mmpt? -71.36 -38.08 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.968 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.85 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -60.01 -65.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.878 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.86 -35.42 3.27 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.76 -0.733 . . . . 75.55 112.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -73.75 -50.78 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 72.32 110.914 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.85 HG11 HD13 ' A' ' 622' ' ' ILE . 40.1 t -68.49 -58.76 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.53 111.133 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.85 HG11 HD23 ' A' ' 630' ' ' LEU . 15.9 m -46.97 -32.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 54.31 111.079 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -67.46 -43.05 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.21 110.829 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.84 -50.71 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 75.12 111.116 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 654' ' ' ILE . 4.0 mp -50.95 -66.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 44.01 111.135 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.6 ' HB3' HD11 ' A' ' 652' ' ' ILE . 16.9 pt20 -52.33 -26.44 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 55.11 110.837 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -32.4 74.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 63.24 110.884 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.28 17.12 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.852 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 75.11 110.878 -179.891 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.785 0.244 . . . . 73.42 112.335 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.48 -0.96 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.825 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.685 ' HA ' HG22 ' B' ' 404' ' ' THR . 2.2 tm-20 -145.03 115.84 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 70.52 110.895 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.6 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.2 OUTLIER -129.93 141.63 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 73.23 111.118 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -121.81 97.65 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.923 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 637' ' ' ILE . 11.0 mm -85.57 110.21 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 70.32 111.184 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -128.06 103.29 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.618 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.6 m-30 -61.58 -27.42 68.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 62.31 110.83 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.38 -29.98 17.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 73.23 110.882 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -117.35 -26.58 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 71.31 111.095 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.51 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -57.25 154.06 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.22 110.921 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.51 ' H ' HD13 ' A' ' 659' ' ' LEU . 5.7 mtmt -88.41 161.02 43.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.609 0.719 . . . . 75.12 110.89 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -35.22 13.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 75.33 112.304 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.19 -49.14 72.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.34 110.804 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' ' 637' ' ' ILE . 25.6 m -68.92 -47.95 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 64.21 111.139 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.5 mp -50.76 -51.05 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.89 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -34.94 79.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 71.51 110.837 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -41.94 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 65.33 110.891 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.623 ' CD1' HD11 ' A' ' 637' ' ' ILE . 5.8 mt -64.07 -49.68 71.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 65.23 110.907 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 671' ' ' VAL . 15.1 tt0 -53.73 -30.94 46.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.809 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.83 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.878 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -80.03 -36.15 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 74.11 110.905 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.496 HG23 HD11 ' A' ' 625' ' ' LEU . 5.0 p -78.18 -36.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.41 111.113 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 10.0 t -66.2 -32.62 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.86 -179.793 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.823 0.344 . . . . 75.33 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 630' ' ' LEU . 13.4 m95 -84.32 165.6 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.13 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -143.68 171.16 14.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.867 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.674 HG11 ' ND2' ' A' ' 623' ' ' ASN . 10.9 p -134.22 148.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 64.15 111.15 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -164.23 94.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.864 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 t -135.16 -169.53 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 51.41 110.83 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -66.83 -27.65 67.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.966 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -46.94 163.63 0.24 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 62.24 110.883 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -20.55 34.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 73.04 112.396 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.618 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -172.57 58.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.912 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 31.1 ttmt -110.48 120.68 43.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.928 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.554 HG22 HG23 ' B' ' 392' ' ' VAL . 0.6 OUTLIER -108.11 116.12 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 70.22 111.102 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.21 99.45 11.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.855 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.513 HD23 HG13 ' A' ' 654' ' ' ILE . 2.2 mm? -99.17 143.24 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.43 110.908 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.685 HG22 ' HA ' ' A' ' 651' ' ' GLU . 81.8 p -145.94 142.16 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.23 111.145 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.438 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 3.7 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.873 0.368 . . . . 63.35 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -92.07 153.54 43.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 71.35 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . 0.405 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.8 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 75.33 112.33 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.713 ' HB2' HD23 ' A' ' 664' ' ' LEU . 4.8 mmm -125.9 130.88 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.871 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.67 162.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 60.52 110.933 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -57.94 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.998 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.94 -62.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 75.33 110.929 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.28 -33.65 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 64.23 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.436 ' HD3' HD21 ' A' ' 664' ' ' LEU . 18.7 mtmt -63.76 -50.25 69.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.858 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.778 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -53.15 -29.19 29.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.899 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -71.96 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.935 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' A' ' 668' ' ' GLU . 3.4 mp -68.32 -46.56 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 63.13 110.947 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.8 t -55.61 -44.1 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.84 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.15 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.958 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 625' ' ' LEU . 43.1 t0 -50.13 -61.79 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.863 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 67.2 mt -50.66 -38.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.131 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -65.98 -34.24 77.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 63.51 110.881 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -70.3 -29.23 65.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.911 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 626' ' ' PRO . 4.4 mm? -68.21 160.62 74.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.618 0.723 . . . . 65.0 110.949 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . 0.427 ' HD2' HD12 ' A' ' 625' ' ' LEU . 53.2 Cg_endo -69.79 164.48 34.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 44.11 112.326 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.06 48.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.712 . . . . 34.14 112.479 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -49.59 -39.7 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 63.13 110.88 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.497 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -68.76 -42.05 78.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 63.4 110.915 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.765 HD21 ' HG ' ' B' ' 403' ' ' LEU . 2.4 tt -66.86 -39.87 87.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 64.11 110.926 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -52.59 -40.18 54.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 61.43 112.504 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -71.27 -36.66 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 73.53 110.929 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 629' ' ' LYS . 59.8 t -62.83 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.147 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.715 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 3.2 p -50.97 -34.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.147 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -62.8 -33.7 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.91 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.87 -53.84 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 52.33 111.162 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.536 ' H ' HD12 ' A' ' 637' ' ' ILE . 4.4 mp -55.18 -51.55 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 61.4 111.151 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.512 ' NE2' HG22 ' A' ' 634' ' ' VAL . 3.3 pt20 -66.99 -13.94 62.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.947 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -88.92 -48.46 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.84 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.45 -30.05 42.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.823 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 63.02 110.928 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.724 0.218 . . . . 60.44 112.324 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -3.23 39.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 74.13 110.911 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.407 ' HA ' HG22 ' B' ' 404' ' ' THR . 32.4 tt0 -138.66 134.44 33.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.579 HG21 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.77 144.13 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 42.21 111.091 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.0 99.04 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.916 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.828 HD11 HD22 ' B' ' 403' ' ' LEU . 9.0 mt -95.34 108.49 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 52.53 111.146 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -125.94 96.99 4.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 64.41 110.888 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.757 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.7 m-30 -56.16 -22.98 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 63.52 110.839 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -56.53 -32.54 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -119.05 -24.7 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 65.23 111.191 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 158.84 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.958 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -88.94 162.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.522 0.677 . . . . 73.13 110.963 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . 0.405 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.7 Cg_endo -69.74 -31.31 20.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.242 . . . . 54.23 112.332 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -60.04 -49.2 78.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 14.2 m -71.19 -35.7 71.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.35 111.09 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.713 HD23 ' HB2' ' A' ' 610' ' ' MET . 2.0 mp -56.84 -60.66 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.55 110.895 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -58.47 -34.21 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.911 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.61 -44.94 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.879 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.509 ' CD1' HD11 ' A' ' 637' ' ' ILE . 3.4 mt -66.63 -41.78 87.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.968 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.621 ' HB2' HD21 ' A' ' 618' ' ' LEU . 66.8 tt0 -64.96 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.912 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.38 -28.77 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 73.05 110.84 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.75 -41.5 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.89 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.7 p -74.41 -35.25 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.15 111.102 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 5.5 t -68.69 -31.75 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.145 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.2 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.889 -179.824 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.655 0.264 . . . . 75.22 111.17 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.715 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 6.1 m95 -70.18 156.45 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 72.41 110.909 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -135.05 173.0 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.86 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 630' ' ' LEU . 97.3 t -150.71 141.33 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 65.33 111.059 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -135.89 110.67 8.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 73.13 110.896 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.6 167.29 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.7 t -133.79 -174.72 3.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 61.13 110.873 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.9 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 63.44 110.912 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.442 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.3 m120 -46.0 163.21 0.23 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.674 0.75 . . . . 60.1 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.724 2.283 . . . . 50.11 112.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.778 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -179.43 59.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 62.31 110.915 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 23.0 ttmt -112.17 113.15 25.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.818 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.412 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -112.5 115.19 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.148 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 102.63 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.828 HD22 HD11 ' A' ' 654' ' ' ILE . 4.4 mp -85.65 136.77 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.932 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 651' ' ' GLU . 21.8 p -147.17 144.8 29.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.124 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.426 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 27.5 mtp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.838 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.859 0.361 . . . . 70.14 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 152.65 38.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 55.03 110.842 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 55.0 Cg_endo -69.67 147.94 64.56 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.735 2.29 . . . . 75.2 112.415 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 22.9 mmm -112.32 128.98 56.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.2 m -97.41 178.89 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.833 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -70.46 -26.07 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 72.11 110.909 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -55.97 28.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 75.32 110.867 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -26.82 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -70.83 -59.63 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 65.22 110.897 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.617 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.1 OUTLIER -47.56 -33.74 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 63.11 110.945 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -71.93 -44.11 64.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 65.04 110.909 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -67.62 -45.81 74.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.963 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . 0.647 ' N ' HD23 ' A' ' 618' ' ' LEU . 1.5 p -50.68 -41.72 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.5 110.854 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.29 -47.65 15.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . 0.475 ' O ' HD13 ' A' ' 625' ' ' LEU . 14.8 t0 -51.4 -53.51 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.93 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.799 HG22 HD12 ' A' ' 630' ' ' LEU . 83.5 mt -64.42 -35.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.03 111.122 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -63.58 -41.68 98.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.55 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -71.83 -28.49 63.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.87 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 621' ' ' ASP . 3.2 mp -67.49 162.34 57.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.612 0.72 . . . . 64.21 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 163.08 39.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.782 2.321 . . . . 75.15 112.371 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . 0.577 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.39 -43.24 51.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 65.33 112.547 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.31 -37.92 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 75.51 110.844 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.6 OUTLIER -71.44 -44.24 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.53 110.895 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.801 HD23 HG11 ' A' ' 634' ' ' VAL . 0.2 OUTLIER -65.49 -61.08 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.965 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -40.55 -38.09 1.4 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.773 -0.727 . . . . 64.32 112.512 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -50.11 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 72.32 110.91 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.598 HG11 HD13 ' A' ' 622' ' ' ILE . 58.2 t -66.85 -55.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.45 111.15 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.801 HG11 HD23 ' A' ' 630' ' ' LEU . 9.3 m -48.51 -30.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 65.33 111.037 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -70.99 -39.3 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.778 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.473 HD11 ' CD2' ' A' ' 670' ' ' TYR . 4.2 mt -56.08 -36.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 64.34 111.134 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.702 HD11 HD13 ' A' ' 667' ' ' LEU . 3.9 mp -66.54 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.127 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.785 ' HB3' HD11 ' A' ' 652' ' ' ILE . 12.8 pt20 -51.41 -24.48 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 70.21 110.873 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 p -69.9 -39.08 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 65.25 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.78 17.67 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 121.687 0.756 . . . . 73.31 110.888 -179.865 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.774 0.239 . . . . 55.24 112.337 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -5.5 30.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 72.34 110.825 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -128.33 129.77 46.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 63.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.785 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.3 OUTLIER -142.11 144.46 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 64.21 111.11 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.15 99.72 6.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 70.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 1.127 HD13 HD23 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -90.86 118.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 71.15 111.116 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.03 98.37 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 53.32 110.915 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.715 ' CE2' HD12 ' B' ' 399' ' ' LEU . 11.2 m-30 -58.19 -27.77 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.902 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.29 -30.75 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -118.93 -25.26 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 72.3 111.199 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.408 HD23 ' HG ' ' A' ' 664' ' ' LEU . 1.7 tp -55.95 154.14 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 63.53 110.894 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -88.64 160.15 45.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 72.43 110.84 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.2 Cg_endo -69.74 -36.9 10.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 64.41 112.311 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 30.3 t -51.95 -49.65 62.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.1 110.852 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.48 HG21 ' HA ' ' A' ' 637' ' ' ILE . 97.4 m -74.92 -47.53 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 71.22 111.165 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.639 HD21 ' CG ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -51.64 -57.25 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.901 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -58.04 -35.93 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.14 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.44 66.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.931 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.702 HD13 HD11 ' A' ' 637' ' ' ILE . 4.8 mt -69.28 -53.75 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 52.41 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 671' ' ' VAL . 0.9 OUTLIER -51.94 -30.37 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.4 110.903 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -35.7 66.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 72.2 110.835 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . 0.473 ' CD2' HD11 ' A' ' 636' ' ' ILE . 1.4 m-85 -79.26 -50.03 11.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 64.12 110.887 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 668' ' ' GLU . 9.9 p -52.62 -32.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 72.33 111.12 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.9 m -72.47 -44.83 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.167 -0.47 . . . . 64.02 111.203 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.857 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . 0.577 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.765 0.317 . . . . 64.42 111.093 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.515 ' HB3' HD22 ' A' ' 630' ' ' LEU . 12.4 m95 -92.3 155.37 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 75.4 110.9 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -127.41 -179.96 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.33 110.849 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' B' ' 401' ' ' ILE . 7.1 p -146.96 130.82 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 65.54 111.055 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -137.4 110.94 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 71.24 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.6 167.71 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 70.32 110.804 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.6 t -135.6 -171.72 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 61.31 110.851 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -30.33 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 73.11 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -47.49 164.27 0.25 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 73.42 110.881 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -15.8 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.267 . . . . 73.23 112.327 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.715 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -179.34 58.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 75.2 110.831 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 30.0 ttmt -110.64 102.12 10.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 73.41 110.889 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.837 HD12 HD21 ' B' ' 403' ' ' LEU . 1.1 pt -97.08 114.4 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.02 111.079 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 107.24 15.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.866 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 1.127 HD23 HD13 ' A' ' 654' ' ' ILE . 1.0 OUTLIER -97.25 138.71 34.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 72.35 110.932 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 29.0 p -146.97 143.13 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 51.13 111.143 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.403 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 31.6 mtp85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.843 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.882 0.373 . . . . 64.31 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -98.94 153.15 37.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 63.03 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.4 Cg_endo -69.76 161.29 46.51 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.624 2.216 . . . . 63.55 112.352 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.575 ' HB2' HD22 ' A' ' 664' ' ' LEU . 7.2 mmm -126.7 107.13 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.896 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 164.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 53.32 110.818 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.36 -35.02 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 72.42 110.994 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.81 -52.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.917 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -62.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 72.45 110.887 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 0.4 OUTLIER -56.73 -39.41 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 65.53 110.928 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.796 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.88 -39.2 58.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.856 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -67.66 -30.14 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' A' ' 668' ' ' GLU . 73.7 mt -63.74 -50.23 69.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.914 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 62.8 p -53.16 -44.96 68.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.35 110.817 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.64 -60.68 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 51.32 110.879 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -48.67 -61.35 2.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.832 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.865 HG22 HD12 ' A' ' 630' ' ' LEU . 99.0 mt -49.76 -37.2 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.088 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.18 -35.16 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.862 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -69.3 -29.28 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 626' ' ' PRO . 4.6 mm? -75.04 160.64 80.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.625 0.726 . . . . 54.44 110.87 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' A' ' 625' ' ' LEU . 54.0 Cg_endo -69.73 164.21 35.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 71.04 112.326 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.37 -41.88 48.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 53.44 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.03 -38.48 37.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 74.35 110.818 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.445 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -70.77 -50.0 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 64.12 110.863 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.865 HD12 HG22 ' A' ' 622' ' ' ILE . 0.4 OUTLIER -58.29 -46.47 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 74.3 110.849 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.84 -42.26 37.46 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 71.14 112.425 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -69.12 -35.11 76.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 64.33 110.925 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.452 ' O ' HD12 ' A' ' 637' ' ' ILE . 73.9 t -65.17 -58.26 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 71.11 111.107 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.695 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 2.9 p -50.17 -29.94 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 74.31 111.142 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.73 -38.66 87.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.835 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.84 -56.73 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 72.03 111.138 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.758 HD11 HD13 ' A' ' 667' ' ' LEU . 4.3 mp -50.4 -57.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 64.32 111.127 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.645 HE21 HG22 ' A' ' 634' ' ' VAL . 5.0 pt20 -57.81 -20.37 35.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 74.03 110.8 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.97 -31.51 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.88 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.26 16.45 22.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 74.45 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.706 0.765 . . . . 74.22 110.896 -179.927 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.787 0.244 . . . . 74.51 112.355 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . 0.433 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.83 21.3 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.896 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -148.57 136.73 21.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.624 HG21 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.26 143.92 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 61.52 111.177 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -116.98 97.34 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.915 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.852 HD11 HD22 ' B' ' 403' ' ' LEU . 24.5 mt -89.17 108.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.122 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -121.72 94.13 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 64.15 110.85 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.537 ' CE2' HD12 ' B' ' 399' ' ' LEU . 22.4 m-85 -57.98 -26.36 62.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.853 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.6 -31.44 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.803 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 655' ' ' ASP . 2.9 t -117.96 -25.35 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 70.42 111.113 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.515 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -55.76 160.38 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 74.43 110.916 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.515 ' H ' HD13 ' A' ' 659' ' ' LEU . 0.0 OUTLIER -88.01 160.75 45.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 73.0 110.906 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . 0.407 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.4 Cg_endo -69.68 -37.1 9.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 73.03 112.447 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -47.56 73.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 62.4 110.829 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.417 ' HB ' HD12 ' A' ' 659' ' ' LEU . 5.0 m -70.8 -39.04 73.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 61.11 111.133 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.575 HD22 ' HB2' ' A' ' 610' ' ' MET . 0.2 OUTLIER -54.56 -60.66 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 43.1 110.911 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -32.97 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -36.37 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 75.05 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.758 HD13 HD11 ' A' ' 637' ' ' ILE . 1.4 mt -74.73 -45.36 44.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.773 ' HB2' HD21 ' A' ' 618' ' ' LEU . 27.0 tt0 -58.35 -29.65 66.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -34.9 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -77.92 -44.92 25.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 51.35 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.11 -33.27 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 50.11 111.16 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.2 m -74.83 -34.57 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 71.15 111.189 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 44.23 110.854 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.8 0.333 . . . . 62.14 111.108 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.695 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 5.7 m95 -72.67 154.63 40.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 74.03 110.944 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -131.41 173.6 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 61.32 110.866 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.528 HG13 HD12 ' B' ' 403' ' ' LEU . 91.4 t -150.64 144.36 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 74.05 111.144 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.66 108.9 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.862 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.4 168.71 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 70.14 110.829 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 2.6 t -135.1 -167.67 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 62.33 110.854 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -70.31 -28.21 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -47.09 164.2 0.23 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 60.41 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.648 2.232 . . . . 43.21 112.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -175.17 59.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 74.01 110.91 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.01 113.68 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.9 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.527 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -114.4 114.04 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 72.32 111.194 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 103.92 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 70.22 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.852 HD22 HD11 ' A' ' 654' ' ' ILE . 4.7 mp -87.11 136.77 32.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 62.12 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 17.1 p -146.63 145.65 30.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.41 111.174 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.433 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 73.55 110.928 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 21.6 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.838 0.351 . . . . 72.41 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 155.19 37.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 70.11 110.884 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 161.22 46.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.22 112.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.688 ' HB2' HD23 ' A' ' 664' ' ' LEU . 72.7 mmm -133.22 117.3 17.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 70.22 110.906 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.87 175.12 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 64.42 110.874 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -52.76 -28.81 23.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 64.24 110.938 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -60.72 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 64.42 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 65.03 110.987 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.764 ' HA ' HD23 ' A' ' 618' ' ' LEU . 2.0 mtpt -73.69 -57.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 71.32 110.887 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.542 ' CB ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -50.62 -28.8 9.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.45 110.869 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -72.75 -40.91 65.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.874 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 615' ' ' LYS . 0.5 OUTLIER -68.08 -31.7 71.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.945 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . 0.485 ' OG ' HD11 ' B' ' 399' ' ' LEU . 50.5 p -72.05 -37.39 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.832 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.42 -50.34 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 70.42 110.954 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . 0.73 ' HB3' HG21 ' A' ' 671' ' ' VAL . 0.5 OUTLIER -50.47 -60.57 2.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.839 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.797 HG22 HD12 ' A' ' 630' ' ' LEU . 42.3 mt -54.33 -36.96 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.08 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.08 -41.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 52.02 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -72.1 -28.81 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 71.42 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.754 ' CD2' HG23 ' A' ' 671' ' ' VAL . 3.2 mp -60.93 161.53 15.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 72.01 110.912 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.1 35.81 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.744 2.296 . . . . 72.34 112.375 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.21 -54.05 25.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 63.24 112.534 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.69 -38.44 32.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.4 . . . . 71.54 110.893 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -57.76 6.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.857 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.869 HD11 HG21 ' B' ' 392' ' ' VAL . 0.6 OUTLIER -55.48 -40.43 71.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 72.44 110.849 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.98 -38.96 47.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 61.32 112.417 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -39.53 78.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 74.43 110.803 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.728 HG11 HD13 ' A' ' 622' ' ' ILE . 58.7 t -62.28 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.31 111.153 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.749 ' HB ' HD23 ' B' ' 403' ' ' LEU . 3.4 p -51.35 -31.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.138 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.98 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.791 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.47 -58.97 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 70.35 111.089 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.735 HD11 ' CD1' ' A' ' 667' ' ' LEU . 3.6 mp -59.2 -26.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.44 111.157 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.474 HE21 HG22 ' A' ' 634' ' ' VAL . 6.6 mt-30 -63.45 -39.32 94.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.934 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -24.87 16.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.864 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -78.53 -30.85 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 73.24 110.927 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.465 -0.176 0 CA-C-O 120.833 0.264 . . . . 75.54 112.359 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . 0.445 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.48 21.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.806 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' B' ' 404' ' ' THR . 1.7 tt0 -148.05 140.31 24.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 63.44 110.863 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.516 HG22 ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.51 144.28 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 50.34 111.142 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -114.97 99.04 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 71.03 110.907 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.819 HD11 HD22 ' B' ' 403' ' ' LEU . 17.5 mt -97.45 108.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 43.21 111.125 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . 0.426 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -119.2 101.15 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.899 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.703 ' CE2' HD12 ' B' ' 399' ' ' LEU . 13.4 m-30 -61.32 -17.65 54.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 62.31 110.827 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.51 -30.83 71.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.878 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 655' ' ' ASP . 15.3 t -116.97 -25.12 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.088 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.439 ' HB3' HD13 ' A' ' 664' ' ' LEU . 0.1 OUTLIER -55.56 160.17 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 62.21 110.904 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 162.3 40.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 73.41 110.856 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -28.32 25.04 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.641 2.227 . . . . 62.12 112.33 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -55.08 20.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 50.43 110.871 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 28.2 m -61.5 -44.17 97.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.51 111.145 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.688 HD23 ' HB2' ' A' ' 610' ' ' MET . 1.4 mp -51.29 -60.55 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 52.25 110.896 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.48 -34.06 73.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -38.77 48.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.848 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.735 ' CD1' HD11 ' A' ' 637' ' ' ILE . 1.6 mt -74.97 -39.37 61.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.912 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 671' ' ' VAL . 6.7 tm-20 -68.76 -22.74 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.907 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.39 -34.91 47.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.01 110.817 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.92 -36.55 56.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.896 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.754 HG23 ' CD2' ' A' ' 625' ' ' LEU . 9.1 p -71.12 -32.77 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.135 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.6 m -73.04 -32.09 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 52.22 111.125 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.875 -179.855 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 64.03 111.118 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.742 ' CH2' HG21 ' A' ' 634' ' ' VAL . 6.8 m95 -73.34 156.01 38.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.873 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -134.47 168.21 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.844 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.869 HG21 HD11 ' A' ' 630' ' ' LEU . 84.6 t -150.86 146.57 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 54.42 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.43 118.81 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 72.12 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.93 150.1 24.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 63.35 110.871 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.4 m -172.12 165.48 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 71.14 110.847 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -77.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 65.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.428 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -57.64 163.65 3.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.671 0.748 . . . . 63.51 110.822 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -20.08 34.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.633 2.222 . . . . 65.54 112.321 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.703 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -172.82 57.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.868 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.428 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 16.2 ttmt -109.87 103.95 12.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.908 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.476 HD12 HD11 ' B' ' 403' ' ' LEU . 1.2 pt -94.1 121.32 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 70.13 111.177 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -92.02 104.82 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 75.05 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.819 HD22 HD11 ' A' ' 654' ' ' ILE . 4.8 mp -87.61 134.8 33.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 71.52 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 651' ' ' GLU . 28.3 p -149.43 143.01 25.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 70.52 111.13 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 24.4 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 62.45 110.823 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.837 0.351 . . . . 70.22 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -96.58 153.42 38.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 62.33 110.837 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.74 2.293 . . . . 53.11 112.316 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.55 ' HB2' HD23 ' A' ' 664' ' ' LEU . 41.5 mmm -118.24 131.49 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 71.42 110.868 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.19 145.98 35.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 62.32 110.84 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -58.54 -30.53 67.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 64.23 110.871 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.69 -62.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 54.15 110.848 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -43.86 92.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 74.54 110.856 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.593 ' HA ' HD23 ' A' ' 618' ' ' LEU . 25.4 mmmt -55.2 -46.66 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.86 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.623 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -52.14 -30.92 28.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.897 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 40.5 tp60 -68.47 -35.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 615' ' ' LYS . 3.4 mm? -65.84 -44.84 84.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 64.44 110.902 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 4.5 m -51.88 -45.64 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 55.12 110.846 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.45 -52.35 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 70.01 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -50.47 -61.13 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 52.34 110.926 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.812 HG22 HD12 ' A' ' 630' ' ' LEU . 49.7 mt -55.79 -35.6 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.114 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.9 -41.3 91.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -28.57 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.833 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.454 HD23 ' CG ' ' A' ' 629' ' ' LYS . 6.3 mp -71.18 162.02 74.96 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 65.14 110.926 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 163.67 37.31 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.742 2.295 . . . . 65.32 112.388 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . 0.478 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.97 -38.97 47.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 42.05 112.517 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.79 -39.08 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 72.03 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.577 ' O ' HG23 ' A' ' 633' ' ' VAL . 2.4 mmpm? -71.28 -44.87 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.914 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.812 HD12 HG22 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -62.94 -56.88 13.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.95 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.09 -34.83 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 63.55 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -74.74 -49.97 19.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 71.05 110.864 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 629' ' ' LYS . 21.7 t -68.02 -58.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 72.14 111.136 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.654 HG11 HD23 ' A' ' 630' ' ' LEU . 14.9 m -49.72 -31.41 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 74.45 111.116 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -67.72 -36.76 81.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.82 -32.16 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 64.11 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 667' ' ' LEU . 3.3 mp -69.25 -47.03 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 71.55 111.095 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.21 -14.79 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 70.21 110.973 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.1 t -96.09 -35.1 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 62.32 110.878 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -88.21 -33.35 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 65.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 52.25 110.876 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.789 0.245 . . . . 64.13 112.339 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -5.05 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.957 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -135.58 132.49 37.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 70.34 110.862 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -142.15 143.98 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 54.44 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -119.94 97.55 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 63.24 110.879 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.814 HD12 HD23 ' B' ' 403' ' ' LEU . 42.0 mt -90.61 108.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.16 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . 0.465 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -124.2 102.93 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 65.3 110.852 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.629 ' CE2' HD12 ' B' ' 399' ' ' LEU . 19.4 m-85 -62.27 -17.17 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.818 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -67.31 -34.09 76.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.465 HG22 ' HB2' ' A' ' 655' ' ' ASP . 11.8 t -108.64 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 72.03 111.12 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 160.73 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 72.43 110.907 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.28 163.03 38.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 61.02 110.923 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -27.67 26.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 65.45 112.37 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -52.67 55.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.894 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.2 m -64.99 -44.66 88.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 72.03 111.17 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 610' ' ' MET . 2.5 mp -46.21 -58.11 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.888 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -66.1 -43.63 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 64.03 110.856 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -50.42 57.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.859 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.548 ' CD2' HD11 ' A' ' 637' ' ' ILE . 0.2 OUTLIER -50.89 -50.98 56.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 61.22 110.875 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.514 ' HA ' HG12 ' A' ' 671' ' ' VAL . 0.0 OUTLIER -61.29 -34.34 75.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.851 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -33.11 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.807 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -80.96 -61.07 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 70.12 110.942 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 668' ' ' GLU . 3.9 p -51.67 -31.34 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 52.21 111.122 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . 0.428 ' HG1' ' HG2' ' A' ' 668' ' ' GLU . 76.9 m -73.76 -39.35 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.5 111.156 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 53.13 110.859 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . 0.478 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.792 0.33 . . . . 74.42 111.146 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -91.48 174.99 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.869 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -141.02 163.19 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.819 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' B' ' 403' ' ' LEU . 13.1 p -132.37 133.61 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.149 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -137.51 109.66 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.936 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 163.97 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 63.44 110.863 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 6.8 t -133.95 176.89 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.809 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -55.0 -26.83 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 63.4 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.422 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 4.2 m-20 -46.69 163.07 0.24 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 64.23 110.904 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.96 37.21 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.756 2.304 . . . . 54.22 112.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.629 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -177.79 61.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.929 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.422 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 13.3 ttmt -112.93 126.88 55.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.32 110.96 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.859 HD12 HD21 ' B' ' 403' ' ' LEU . 0.7 OUTLIER -120.21 107.96 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 74.22 111.086 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 99.15 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 61.14 110.823 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.859 HD21 HD12 ' B' ' 401' ' ' ILE . 1.7 mm? -90.99 136.19 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 43.11 110.93 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 20.3 p -144.85 144.73 31.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.154 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.2 mtp85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.31 110.837 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.858 0.361 . . . . 63.3 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 153.53 43.85 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 73.32 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 75.31 112.329 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.788 ' HB2' HD23 ' A' ' 664' ' ' LEU . 2.2 mmm -119.98 111.1 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 72.15 110.884 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.92 154.03 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 64.5 110.896 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 616' ' ' ARG . 42.6 p90 -49.92 -39.31 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.94 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -59.37 5.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 73.11 110.832 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.6 -58.53 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 73.11 110.888 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 14.2 ptpt -59.24 -33.91 71.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.885 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.636 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.4 OUTLIER -52.06 -37.03 52.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.94 72.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.951 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' A' ' 668' ' ' GLU . 88.9 mt -51.6 -43.19 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 61.42 110.927 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.5 t -65.97 -55.04 18.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.853 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.9 -59.74 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 65.22 110.917 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . 0.723 ' HB3' HG21 ' A' ' 671' ' ' VAL . 0.7 OUTLIER -48.92 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 73.13 110.843 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.707 HD13 HG11 ' A' ' 633' ' ' VAL . 93.1 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 72.53 111.08 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.49 -38.62 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.89 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -28.67 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.835 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.809 HD11 HG23 ' A' ' 671' ' ' VAL . 23.8 mt -61.06 159.62 26.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 73.35 110.964 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.44 34.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 60.52 112.342 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.19 -44.64 57.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.761 -0.733 . . . . 55.41 112.434 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -50.15 -38.95 41.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 73.24 110.809 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.513 ' HG3' HD13 ' A' ' 625' ' ' LEU . 0.1 OUTLIER -70.61 -40.72 73.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 53.3 110.905 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.937 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -58.44 -63.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 75.31 110.968 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.56 -35.99 4.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 62.42 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.83 -53.54 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 70.14 110.847 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.707 HG11 HD13 ' A' ' 622' ' ' ILE . 91.5 t -63.41 -56.81 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.02 111.138 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 1.141 HG12 HD23 ' B' ' 403' ' ' LEU . 12.4 m -48.92 -32.36 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 73.24 111.153 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -67.12 -38.03 84.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.866 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.6 mt -62.53 -47.11 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 63.54 111.136 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.591 HG12 HD11 ' A' ' 667' ' ' LEU . 10.5 mt -54.14 -64.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 65.22 111.093 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.8 -24.65 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 61.44 110.916 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -35.82 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.889 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -115.12 17.28 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 74.43 110.924 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.684 0.754 . . . . 65.22 110.96 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.791 0.246 . . . . 62.44 112.356 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -92.29 23.02 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.846 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -145.44 135.3 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 70.52 110.826 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.3 OUTLIER -138.45 140.65 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 63.32 111.13 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -119.68 98.3 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.897 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.932 HD11 HD22 ' B' ' 403' ' ' LEU . 26.1 mt -84.76 110.35 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.4 111.14 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -126.42 90.09 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.868 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.66 ' CD1' HD11 ' A' ' 664' ' ' LEU . 20.1 m-30 -57.65 -29.18 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 70.15 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.56 -30.35 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.916 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.1 t -117.3 -25.4 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.44 111.121 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -56.02 155.97 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.899 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.556 ' H ' HD13 ' A' ' 659' ' ' LEU . 4.2 mtmm -88.89 162.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 70.24 110.858 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -32.2 18.77 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.617 2.212 . . . . 72.43 112.342 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.65 -51.72 64.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 51.04 110.81 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 659' ' ' LEU . 90.2 m -67.24 -40.86 86.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 44.04 111.121 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 610' ' ' MET . 0.9 OUTLIER -51.03 -53.76 30.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 53.41 110.905 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -33.53 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 70.42 110.866 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.23 -50.54 61.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 72.52 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.591 HD11 HG12 ' A' ' 637' ' ' ILE . 5.7 mt -62.67 -38.06 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 60.34 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.429 ' HB2' HD21 ' A' ' 618' ' ' LEU . 16.6 tt0 -60.6 -28.29 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.95 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -36.14 63.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 63.53 110.934 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -76.97 -46.27 24.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 70.14 110.917 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.809 HG23 HD11 ' A' ' 625' ' ' LEU . 8.0 p -58.58 -32.67 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 70.53 111.094 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.6 m -74.05 -34.84 64.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.129 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 72.42 110.805 -179.82 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.813 0.34 . . . . 73.1 111.141 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.807 ' HB3' HD22 ' A' ' 630' ' ' LEU . 10.6 m95 -91.77 153.21 19.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -119.27 172.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.776 HG23 HD11 ' B' ' 403' ' ' LEU . 8.9 p -140.31 131.94 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 65.14 111.194 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -141.56 112.27 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 164.54 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.811 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.3 p -127.62 -175.21 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -68.01 -26.81 66.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 64.22 110.902 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.8 m-20 -47.04 165.09 0.21 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 75.5 110.91 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . 0.411 ' O ' HD22 ' B' ' 399' ' ' LEU . 53.7 Cg_endo -69.78 -23.57 30.56 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.695 2.263 . . . . 74.33 112.315 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.0 OUTLIER -164.93 57.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 75.11 110.881 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 15.1 ttmt -106.22 136.23 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 45.14 110.873 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.625 HG22 ' CD1' ' B' ' 403' ' ' LEU . 0.7 OUTLIER -134.71 112.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 73.3 111.153 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.46 96.96 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.874 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 1.141 HD23 HG12 ' A' ' 634' ' ' VAL . 1.2 mp -96.34 139.61 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.55 110.882 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 14.8 p -148.27 147.43 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.224 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.424 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.4 mtp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 71.14 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.863 0.364 . . . . 74.43 110.888 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 159.18 31.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 73.15 110.832 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 161.29 46.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 70.13 112.379 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.714 ' HB2' HD23 ' A' ' 664' ' ' LEU . 60.1 mmm -126.95 113.88 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 63.04 110.846 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.77 159.23 22.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 61.53 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -65.33 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.975 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.03 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 63.41 110.91 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -55.88 -30.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.513 ' HZ3' HD23 ' A' ' 618' ' ' LEU . 12.9 mmtt -71.75 -41.03 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 71.55 110.842 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.791 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.79 -32.13 29.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 74.3 110.817 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 15.0 tp60 -79.39 -34.45 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.744 HD21 ' HG3' ' A' ' 668' ' ' GLU . 0.5 OUTLIER -69.85 -42.63 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.887 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . 0.544 ' OG ' HD11 ' B' ' 399' ' ' LEU . 1.2 p -59.22 -45.3 91.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.797 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.36 -53.37 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 64.32 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . 0.492 ' O ' HD13 ' A' ' 625' ' ' LEU . 37.9 m-20 -51.65 -61.2 2.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 53.14 110.842 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.812 HG22 HD12 ' A' ' 630' ' ' LEU . 76.6 mt -52.93 -37.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.073 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.43 -35.64 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -28.7 61.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.849 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 629' ' ' LYS . 9.1 mp -59.89 161.6 11.67 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.642 0.735 . . . . 62.4 110.881 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.18 35.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.262 . . . . 54.22 112.349 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . 0.66 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -55.87 -34.3 61.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 63.13 112.455 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.82 -40.82 92.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 75.41 110.866 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.668 ' HB3' HD23 ' A' ' 625' ' ' LEU . 9.7 mttt -72.93 -43.38 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 54.12 110.864 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.812 HD12 HG22 ' A' ' 622' ' ' ILE . 0.6 OUTLIER -67.54 -47.14 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 65.31 110.899 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -47.29 -43.1 18.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 73.41 112.511 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -62.87 -47.7 82.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 75.24 110.867 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 667' ' ' LEU . 90.4 t -61.61 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 60.25 111.107 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.649 HG13 HG21 ' A' ' 652' ' ' ILE . 44.0 t -50.5 -29.14 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.32 111.158 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -67.38 -35.84 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.857 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.7 mt -68.97 -36.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.106 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.657 HD11 ' CD1' ' A' ' 667' ' ' LEU . 46.0 mt -72.68 -54.43 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.099 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -61.52 -18.09 57.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 65.43 110.918 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 36.0 t -96.18 -34.11 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 70.43 110.911 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.18 -32.6 44.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.511 . . . . 64.5 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.684 0.754 . . . . 50.24 110.855 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.164 0 CA-C-O 120.833 0.264 . . . . 74.43 112.325 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.35 22.9 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.861 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.29 134.07 22.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.911 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.649 HG21 HG13 ' A' ' 634' ' ' VAL . 0.2 OUTLIER -141.87 137.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 53.53 111.112 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -115.81 97.5 6.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.88 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.625 HG23 HD13 ' A' ' 637' ' ' ILE . 9.7 mt -91.76 109.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 62.12 111.169 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -127.86 97.05 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.866 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.673 ' CE2' HD12 ' B' ' 399' ' ' LEU . 18.7 m-85 -59.82 -19.39 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.898 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.17 -29.5 70.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.966 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.4 t -118.58 -26.31 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 52.42 111.112 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 158.34 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.994 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -88.25 161.45 43.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 62.41 110.816 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -31.68 19.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 50.1 112.318 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.19 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 54.3 110.918 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 91.6 m -64.22 -38.34 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 74.43 111.141 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.714 HD23 ' HB2' ' A' ' 610' ' ' MET . 1.6 mp -52.83 -60.84 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 71.52 110.869 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.4 110.938 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.65 -35.72 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 64.31 110.938 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.657 ' CD1' HD11 ' A' ' 637' ' ' ILE . 1.5 mt -77.13 -43.19 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 51.22 110.868 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.744 ' HG3' HD21 ' A' ' 618' ' ' LEU . 0.4 OUTLIER -61.49 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.845 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -35.58 63.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 71.01 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -79.02 -46.67 17.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 74.42 111.001 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 668' ' ' GLU . 9.9 p -57.18 -32.38 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 73.04 111.139 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.3 m -73.3 -42.31 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 75.33 111.08 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 73.05 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . 0.66 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 73.53 111.113 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.427 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 6.7 m95 -85.59 160.32 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.901 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -139.41 161.97 36.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.863 HG23 HD22 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -134.51 159.66 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 73.53 111.131 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.7 101.62 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 73.32 110.947 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 157.84 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 50.54 110.817 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.75 -179.52 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 54.32 110.819 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -55.26 -26.2 38.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 74.53 111.004 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.5 m120 -46.04 162.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.659 0.742 . . . . 74.3 110.838 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -19.38 36.32 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.244 . . . . 75.31 112.318 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -177.96 60.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.878 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 24.3 ttmt -112.18 118.92 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.898 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -118.26 109.0 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 70.42 111.126 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.23 100.0 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.915 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.863 HD22 HG23 ' B' ' 392' ' ' VAL . 0.5 OUTLIER -83.15 144.34 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 55.14 110.921 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 39.7 p -151.9 144.06 23.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 71.21 111.221 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 23.0 mtp85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 72.21 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.854 0.359 . . . . 60.4 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 155.75 36.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.459 0.647 . . . . 73.2 110.967 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.05 54.86 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.27 . . . . 74.1 112.318 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.562 ' CB ' HD22 ' A' ' 664' ' ' LEU . 56.9 mmm -135.06 113.27 11.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 65.22 110.944 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.5 110.923 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 21.5 p90 -64.37 -28.87 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.947 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.5 . . . . 71.35 110.862 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -68.47 -33.03 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.875 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.634 ' HG2' HD11 ' A' ' 664' ' ' LEU . 2.5 mtmt -60.4 -57.69 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.978 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.682 ' HA ' HD21 ' B' ' 399' ' ' LEU . 2.9 ptt180 -51.66 -33.28 32.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.831 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -34.3 76.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 71.22 110.942 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.616 HD11 HD23 ' A' ' 664' ' ' LEU . 40.4 mt -69.89 -53.94 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.91 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . 0.628 ' OG ' HD11 ' B' ' 399' ' ' LEU . 3.1 p -51.0 -37.97 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 71.05 110.841 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 54.31 110.905 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.14 -61.04 2.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 74.43 110.841 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.578 HG22 HD12 ' A' ' 630' ' ' LEU . 3.5 mt -53.79 -40.55 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.096 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.58 -41.53 99.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.03 110.813 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -69.34 -28.41 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 54.32 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.643 ' CD2' HG23 ' A' ' 671' ' ' VAL . 3.6 mp -62.35 160.48 32.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 75.31 110.909 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 165.06 32.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 75.42 112.346 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . 0.511 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -50.2 -57.66 9.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 64.0 112.475 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -50.19 -39.7 44.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 72.15 110.89 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.463 ' HD2' HD23 ' A' ' 625' ' ' LEU . 2.7 mmtm -67.19 -40.31 86.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 73.23 110.893 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.89 HD21 HD12 ' B' ' 403' ' ' LEU . 0.6 OUTLIER -68.81 -49.19 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.882 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.29 -39.35 5.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.41 112.494 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -48.8 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 73.04 110.817 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.562 HG21 HG12 ' A' ' 622' ' ' ILE . 31.4 t -61.06 -56.02 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.172 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.716 HG12 HE21 ' A' ' 638' ' ' GLN . 16.6 t -50.62 -33.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.078 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -64.6 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.895 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.2 mt -69.1 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.44 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.709 HG21 HG23 ' A' ' 654' ' ' ILE . 65.9 mt -54.06 -44.37 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 111.128 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.716 HE21 HG12 ' A' ' 634' ' ' VAL . 2.9 pt20 -70.44 -14.3 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 54.04 110.903 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.3 m -90.65 -35.67 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -32.76 16.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 71.01 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.612 0.72 . . . . 74.12 110.892 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.464 -0.225 0 CA-C-O 120.826 0.261 . . . . 54.33 112.354 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 6.19 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.827 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.42 136.78 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 72.42 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.545 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.18 141.82 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 71.14 111.099 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -118.19 98.33 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.836 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.748 HD13 HD23 ' B' ' 403' ' ' LEU . 2.6 mp -90.85 108.88 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 75.24 111.179 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . 0.665 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -109.27 96.38 6.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.808 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.693 ' CE2' HD12 ' B' ' 399' ' ' LEU . 7.4 m-30 -56.4 -26.15 52.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.841 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -56.95 -40.27 76.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 63.31 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.665 HG22 ' HB2' ' A' ' 655' ' ' ASP . 8.8 t -104.51 -19.75 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 60.34 111.117 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.507 HD11 HG23 ' A' ' 637' ' ' ILE . 7.2 tp -55.9 144.26 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.923 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.16 162.33 40.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 74.4 110.829 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.7 17.81 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 75.51 112.308 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -43.93 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 61.31 110.835 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.413 HG21 ' HA ' ' A' ' 637' ' ' ILE . 23.8 m -72.61 -43.37 63.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.124 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.634 HD11 ' HG2' ' A' ' 615' ' ' LYS . 0.1 OUTLIER -52.4 -59.52 4.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 64.22 110.915 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.84 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.854 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.92 -33.86 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.902 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 637' ' ' ILE . 2.7 mt -75.94 -56.35 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 63.3 110.945 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.417 ' HA ' HG12 ' A' ' 671' ' ' VAL . 1.2 tt0 -51.96 -31.1 27.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.842 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -34.89 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 62.34 110.873 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -79.13 -49.1 13.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.948 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.643 HG23 ' CD2' ' A' ' 625' ' ' LEU . 8.3 p -53.98 -33.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 64.14 111.121 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 21.4 m -82.15 -33.84 29.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.32 111.127 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.1 110.885 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . 0.511 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.83 0.348 . . . . 61.53 111.123 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.539 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 7.9 m95 -87.2 161.77 17.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.929 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -139.75 164.66 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 74.33 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.681 HG23 HD22 ' B' ' 403' ' ' LEU . 1.5 p -137.91 144.53 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 73.43 111.154 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -137.21 99.66 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.924 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 170.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.827 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.55 -169.2 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.8 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -70.73 -29.34 65.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 73.21 110.934 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.428 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.9 m-20 -47.6 164.9 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.647 0.736 . . . . 74.21 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 -12.91 34.0 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 73.24 112.425 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.693 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -178.95 59.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 73.23 110.893 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 655' ' ' ASP . 0.9 OUTLIER -108.95 119.48 39.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 70.34 110.851 179.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.651 HD12 ' HB ' ' A' ' 654' ' ' ILE . 0.5 OUTLIER -122.44 111.97 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.151 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -86.65 106.2 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.839 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.89 HD12 HD21 ' A' ' 630' ' ' LEU . 2.4 mm? -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.925 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 19.7 p -146.5 143.14 28.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 54.25 111.149 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.02 110.933 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.1 p . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.814 0.34 . . . . 51.21 110.96 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -98.53 154.34 37.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 65.3 110.876 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.3 Cg_endo -69.82 161.04 47.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 75.23 112.332 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.6 mmm -123.81 106.84 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 75.1 110.848 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 148.59 50.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.904 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -44.24 -35.87 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 73.1 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 -48.75 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 70.55 110.924 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.811 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.733 ' HA ' HD23 ' A' ' 618' ' ' LEU . 3.1 mtmm -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.874 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.464 ' HA ' HD21 ' B' ' 399' ' ' LEU . 5.9 mtm180 -68.39 -45.76 71.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.841 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -55.75 -28.94 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 54.15 110.856 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.77 HD12 HD12 ' A' ' 622' ' ' ILE . 0.3 OUTLIER -86.05 -28.75 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 65.42 110.883 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . 0.418 ' HB3' HD11 ' B' ' 399' ' ' LEU . 30.5 p -65.02 -46.64 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 54.04 110.829 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.2 tp -77.89 -40.87 38.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 72.12 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.16 -58.32 5.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.847 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.77 HD12 HD12 ' A' ' 618' ' ' LEU . 33.2 mt -57.9 -38.85 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 72.01 111.144 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -37.71 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.885 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -70.77 -28.64 64.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.614 ' CD1' HG23 ' A' ' 671' ' ' VAL . 23.7 mt -68.3 160.48 75.3 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 72.13 110.918 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 164.67 33.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 73.34 112.348 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.56 54.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 53.22 112.471 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.04 -40.19 30.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 64.34 110.873 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.9 mmtp -71.68 -35.76 70.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.86 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.966 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -63.46 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 63.11 110.908 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.63 -35.62 2.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.23 112.574 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -53.76 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 72.24 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.527 HG11 ' CD1' ' A' ' 622' ' ' ILE . 59.2 t -64.93 -52.91 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.31 111.151 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.968 HG12 HD23 ' B' ' 403' ' ' LEU . 6.7 m -48.38 -32.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.186 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -70.62 -37.21 73.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.507 . . . . 54.44 110.829 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.53 -37.72 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 71.25 111.144 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.764 HG21 HG12 ' A' ' 654' ' ' ILE . 3.1 mp -65.72 -65.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.127 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.734 ' HB3' HD11 ' A' ' 652' ' ' ILE . 9.0 pt20 -53.96 -24.32 16.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.913 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -71.24 -34.88 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 70.41 110.821 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -115.14 17.4 16.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.899 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 55.5 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 62.41 110.834 -179.852 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.137 0 CA-C-O 120.775 0.239 . . . . 73.11 112.395 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . 0.424 ' CG ' ' HB2' ' B' ' 405' ' ' ARG . 4.9 t70 -83.13 11.69 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.884 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.425 ' HA ' HG22 ' B' ' 404' ' ' THR . 28.5 tt0 -150.29 129.69 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.4 110.895 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.734 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.0 OUTLIER -142.38 133.67 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.094 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -117.4 98.73 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 71.21 110.919 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.764 HG12 HG21 ' A' ' 637' ' ' ILE . 36.3 mt -91.54 108.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 63.53 111.136 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -106.19 96.04 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' B' ' 399' ' ' LEU . 5.1 m-30 -57.65 -28.4 63.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.876 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -54.27 -34.22 60.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 51.01 110.854 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.6 t -112.45 -21.23 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 35.32 111.069 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.34 154.18 6.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 75.5 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -88.19 158.84 49.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 74.24 110.908 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . 0.428 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.1 Cg_endo -69.83 -38.1 8.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 70.55 112.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.06 56.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 62.23 110.875 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.414 HG21 ' HA ' ' A' ' 637' ' ' ILE . 25.5 m -63.29 -44.37 95.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.17 -0.468 . . . . 53.54 111.171 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 615' ' ' LYS . 0.1 OUTLIER -51.56 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 53.15 110.899 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -34.66 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 52.04 110.946 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.44 -34.63 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.962 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 637' ' ' ILE . 1.2 mt -77.4 -44.84 27.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 74.44 110.885 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.447 ' HA ' HG12 ' A' ' 671' ' ' VAL . 22.2 tt0 -59.59 -27.64 66.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.464 . . . . 72.24 110.892 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.32 -35.67 47.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.02 110.832 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -78.88 -36.58 41.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.942 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.614 HG23 ' CD1' ' A' ' 625' ' ' LEU . 7.8 p -69.91 -31.75 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.167 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -76.43 -31.07 57.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 53.12 111.195 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 65.41 110.825 -179.848 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.741 0.305 . . . . 62.14 111.148 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.798 ' HB3' HD22 ' A' ' 630' ' ' LEU . 16.2 m95 -89.49 156.29 18.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.928 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -130.01 175.07 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 70.24 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' B' ' 401' ' ' ILE . 14.8 p -137.99 131.5 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 63.14 111.144 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -139.77 112.34 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 168.87 17.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.914 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.48 -173.13 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 31.54 110.812 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -65.27 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 74.53 110.9 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.34 165.29 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 65.32 110.889 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.86 37.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 62.02 112.35 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.729 HD12 HD11 ' B' ' 401' ' ' ILE . 0.1 OUTLIER -174.85 56.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.9 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -102.08 103.86 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.858 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.729 HD11 HD12 ' B' ' 399' ' ' LEU . 0.9 OUTLIER -102.05 110.52 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 72.41 111.113 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 95.93 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.31 110.839 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.968 HD23 HG12 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -89.82 139.01 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 72.11 110.88 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 651' ' ' GLU . 27.1 p -149.04 141.24 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 61.13 111.14 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.424 ' HB2' ' CG ' ' A' ' 650' ' ' ASP . 54.5 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.85 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.835 0.35 . . . . 50.31 110.87 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -93.37 153.41 41.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 75.43 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 161.1 47.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 74.21 112.351 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . 0.713 ' HB2' HD22 ' A' ' 664' ' ' LEU . 24.0 mmm -125.66 129.76 50.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.83 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.04 154.36 22.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.827 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -50.91 -35.15 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 75.13 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -59.24 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 61.41 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.729 ' HD3' HD21 ' A' ' 664' ' ' LEU . 0.0 OUTLIER -49.9 -32.85 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.929 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.797 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -55.97 -45.25 78.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.834 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -67.98 -26.24 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.93 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.686 HD11 ' HA ' ' A' ' 668' ' ' GLU . 4.3 mm? -70.72 -48.95 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.985 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -41.56 68.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 73.23 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.83 -61.04 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.841 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.772 HD13 HG11 ' A' ' 633' ' ' VAL . 97.0 mt -53.64 -35.73 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 51.34 111.084 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.76 -41.14 88.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.873 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -69.19 -28.83 66.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.727 HD23 ' HE2' ' A' ' 629' ' ' LYS . 1.2 mp -62.78 162.15 23.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 63.33 110.906 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 163.83 36.84 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.681 2.254 . . . . 73.24 112.316 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.6 -48.35 55.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 62.03 112.435 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -49.6 -38.01 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 72.11 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.727 ' HE2' HD23 ' A' ' 625' ' ' LEU . 0.0 OUTLIER -70.13 -59.13 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.927 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.77 HD21 ' HG ' ' B' ' 403' ' ' LEU . 2.0 tt -51.87 -45.29 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.33 110.938 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -50.5 -40.24 38.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 61.02 112.465 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.44 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 64.33 110.912 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.772 HG11 HD13 ' A' ' 622' ' ' ILE . 92.6 t -65.29 -56.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.081 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.759 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 3.0 p -50.03 -34.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.212 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -36.34 83.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 74.4 110.821 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.9 mt -65.23 -56.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 71.44 111.139 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.743 HG21 HG12 ' A' ' 654' ' ' ILE . 4.1 mp -49.93 -62.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.53 111.133 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.449 ' NE2' HG22 ' A' ' 634' ' ' VAL . 4.4 pt20 -50.45 -28.74 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 71.42 110.9 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -49.91 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.888 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -97.47 17.21 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 73.54 110.97 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-O 121.653 0.739 . . . . 73.42 110.848 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.751 0.229 . . . . 72.04 112.342 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.1 OUTLIER -91.4 22.43 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.04 110.854 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.44 ' HA ' HG22 ' B' ' 404' ' ' THR . 37.8 tt0 -148.41 135.78 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.15 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.721 HG21 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.48 144.93 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.132 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -118.43 97.96 6.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 62.43 110.89 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.796 HD11 HD22 ' B' ' 403' ' ' LEU . 27.9 mt -89.58 108.64 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 61.12 111.178 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . 0.628 ' C ' HD12 ' A' ' 659' ' ' LEU . 0.0 OUTLIER -121.15 104.37 9.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.861 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.7 m-85 -63.46 -14.72 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.84 -26.21 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 64.53 110.924 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 655' ' ' ASP . 13.2 t -118.34 -24.92 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 65.41 111.166 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.631 HD21 HG23 ' A' ' 637' ' ' ILE . 6.3 mt -54.69 160.2 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 62.34 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -89.26 162.56 36.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.531 0.681 . . . . 74.21 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.64 28.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.626 2.218 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -54.77 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.83 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 5.2 m -57.26 -40.44 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 74.41 111.139 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.729 HD21 ' HD3' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -54.78 -46.76 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.916 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -70.41 -34.38 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 75.23 110.905 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.66 -45.3 63.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.844 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.633 ' CD1' HD11 ' A' ' 637' ' ' ILE . 5.2 mt -67.14 -49.24 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 43.42 110.934 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.686 ' HA ' HD11 ' A' ' 618' ' ' LEU . 46.7 tt0 -55.77 -27.32 50.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.817 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -34.11 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.845 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -79.09 -47.21 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.91 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.471 HG23 ' CD2' ' A' ' 625' ' ' LEU . 7.3 p -56.78 -33.14 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.1 111.098 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.8 m -76.99 -34.75 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.157 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 51.55 110.861 -179.875 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.751 0.31 . . . . 74.12 111.15 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.759 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 7.5 m95 -73.29 155.51 39.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.873 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -136.22 174.5 10.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 64.41 110.83 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 630' ' ' LEU . 68.1 t -150.39 143.07 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.24 111.156 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -136.22 108.97 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 44.33 110.963 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 165.44 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.92 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 8.3 t -134.51 179.84 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 53.34 110.827 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.92 -26.3 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 54.43 110.918 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.405 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.7 m-20 -46.51 163.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 60.22 110.911 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.72 36.61 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.66 2.24 . . . . 71.44 112.296 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -177.43 60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 63.1 110.831 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.405 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 8.9 ttmt -115.56 119.34 35.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.866 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.453 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -116.61 112.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.52 111.156 179.802 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -82.58 103.69 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.87 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 654' ' ' ILE . 5.1 mp -88.3 135.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 70.24 110.91 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 651' ' ' GLU . 25.7 p -147.43 141.76 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 64.03 111.185 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.0 mtp85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 60.53 110.884 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 31.8 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.846 0.355 . . . . 64.51 110.872 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -97.64 156.41 36.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 60.31 110.899 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 74.35 112.322 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 43.6 mtp -150.35 119.22 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.902 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.4 t -80.82 -179.46 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 63.05 110.852 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 30.2 p90 -61.63 -25.56 67.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.926 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -60.92 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.906 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.12 -21.83 64.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 74.52 110.836 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.521 ' HE3' HD11 ' B' ' 401' ' ' ILE . 0.0 OUTLIER -70.37 -56.82 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.924 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -28.2 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.88 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -78.91 -55.48 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.946 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.581 HD12 HD12 ' A' ' 622' ' ' ILE . 1.6 pp -61.57 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 73.15 110.937 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 5.5 p -65.48 -47.41 76.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 54.24 110.856 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.99 -48.45 65.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . 0.469 ' O ' HD13 ' A' ' 625' ' ' LEU . 7.7 t0 -51.4 -55.31 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 64.33 110.823 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.581 HD12 HD12 ' A' ' 618' ' ' LEU . 60.5 mt -52.14 -35.95 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.081 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -72.75 -35.95 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.03 -28.55 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 64.13 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.587 HD23 ' HB3' ' A' ' 629' ' ' LYS . 6.5 mp -57.16 161.37 5.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 74.25 110.871 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 164.55 34.2 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.706 2.27 . . . . 75.11 112.324 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.64 -57.82 10.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 64.4 112.535 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -49.3 -37.79 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 73.11 110.884 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.732 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.5 mmtm -67.26 -39.62 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.944 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.732 ' O ' HG12 ' A' ' 634' ' ' VAL . 2.0 tt -63.92 -46.83 83.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.924 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.04 -38.32 38.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 64.11 112.495 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -40.4 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 73.45 110.831 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 629' ' ' LYS . 17.5 t -62.25 -63.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 42.43 111.062 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 630' ' ' LEU . 1.6 p -49.3 -33.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.143 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -47.56 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 61.11 110.838 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.43 -52.26 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 71.51 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.571 HD13 HD13 ' A' ' 654' ' ' ILE . 46.3 mt -60.28 -27.39 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 73.04 111.109 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.619 HE21 HG22 ' A' ' 634' ' ' VAL . 1.6 mt-30 -63.79 -37.64 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 54.52 110.919 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.23 -24.7 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.906 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.77 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 65.54 110.815 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 72.4 110.898 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.762 0.234 . . . . 74.3 112.326 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.53 16.75 7.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 64.42 110.869 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' B' ' 404' ' ' THR . 73.4 tt0 -148.19 139.68 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.845 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.578 HD12 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.06 139.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 72.54 111.139 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -115.7 99.81 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.55 110.851 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.936 HG22 HD11 ' A' ' 659' ' ' LEU . 8.0 mt -86.32 109.76 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.165 -0.47 . . . . 72.45 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.18 100.91 10.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 659' ' ' LEU . 5.5 t80 -53.7 -34.47 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.64 -27.75 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 75.21 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 p -112.36 11.89 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 64.15 111.134 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.936 HD11 HG22 ' A' ' 654' ' ' ILE . 17.2 mt -92.19 144.16 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.86 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.58 164.11 30.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.566 0.698 . . . . 75.21 110.889 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.05 32.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 62.13 112.338 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -52.55 17.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 73.23 110.76 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.583 HG22 HD11 ' A' ' 667' ' ' LEU . 25.2 m -59.69 -33.83 72.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.115 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 615' ' ' LYS . 1.1 tp -62.8 -44.6 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 61.2 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -40.34 46.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.842 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.44 -55.09 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 53.31 110.866 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.583 HD11 HG22 ' A' ' 663' ' ' THR . 2.9 mt -63.51 -37.5 87.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 72.4 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.433 ' HA ' HG12 ' A' ' 671' ' ' VAL . 23.0 tt0 -63.92 -25.84 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.938 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -75.33 -34.51 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 75.35 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.91 -41.18 37.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.818 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 625' ' ' LEU . 9.1 p -66.78 -32.18 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 70.55 111.159 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.1 m -76.34 -28.72 56.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 73.15 111.191 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 61.34 110.953 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.754 0.312 . . . . 74.33 111.136 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.714 ' HB3' HD22 ' A' ' 630' ' ' LEU . 7.7 m95 -75.45 154.11 37.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.892 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -133.25 176.34 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 63.12 110.89 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.73 HG23 HD11 ' A' ' 630' ' ' LEU . 90.0 t -150.58 137.5 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 75.35 111.119 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -138.63 110.24 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.44 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 172.56 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 71.53 110.836 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -132.71 178.48 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.913 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -57.95 -28.61 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.898 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.31 165.11 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 70.12 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.03 37.19 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.647 2.231 . . . . 72.14 112.384 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.728 HD12 HD11 ' B' ' 401' ' ' ILE . 0.0 OUTLIER -174.37 56.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 54.35 110.904 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -102.04 98.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 65.05 110.917 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.728 HD11 HD12 ' B' ' 399' ' ' LEU . 2.1 mp -93.41 128.57 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 74.42 111.051 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.64 100.15 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.89 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 634' ' ' VAL . 5.6 mp -91.79 135.95 33.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 71.54 110.987 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 651' ' ' GLU . 21.5 p -148.45 142.21 25.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.13 111.168 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.5 mtp85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 75.41 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 91.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.901 0.382 . . . . 51.43 110.865 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.64 156.01 36.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.539 0.685 . . . . 75.32 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.3 Cg_endo -69.78 157.83 59.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.257 . . . . 74.21 112.366 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.4 mmm -128.64 128.13 43.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 9.2 m -95.39 178.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.865 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 26.7 p90 -68.24 -28.06 66.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 74.1 110.907 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -61.1 2.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 62.33 110.925 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -29.17 69.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 74.12 110.899 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.753 ' HA ' HD23 ' A' ' 618' ' ' LEU . 69.5 mttt -66.66 -60.54 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 64.02 110.886 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.645 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -49.46 -28.11 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.894 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.17 -42.41 46.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.852 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.753 HD23 ' HA ' ' A' ' 615' ' ' LYS . 0.5 OUTLIER -66.61 -33.38 75.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 63.02 110.863 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.5 -50.21 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 71.3 110.849 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 14.7 tp -74.99 -44.49 47.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 65.52 110.97 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -50.01 -61.17 2.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 61.53 110.915 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.767 HD13 HG11 ' A' ' 633' ' ' VAL . 85.4 mt -55.78 -34.99 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 61.31 111.103 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 60.42 110.889 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.05 110.942 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.68 161.04 77.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 75.11 110.904 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.61 33.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 75.13 112.337 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.63 -41.31 42.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 64.42 112.493 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -49.76 -40.06 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 70.14 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -52.29 19.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 41.13 110.952 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.768 HD21 HD12 ' B' ' 403' ' ' LEU . 0.6 OUTLIER -54.75 -51.94 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 72.0 110.948 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.83 -46.0 9.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.776 -0.726 . . . . 61.4 112.443 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -41.42 99.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 75.34 110.897 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.767 HG11 HD13 ' A' ' 622' ' ' ILE . 87.3 t -69.55 -59.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 43.23 111.085 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 630' ' ' LEU . 5.9 t -47.78 -33.51 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 61.41 111.105 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.37 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.823 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.44 HG21 ' CG ' ' A' ' 666' ' ' GLU . 2.1 mt -50.78 -59.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 75.11 111.14 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.537 HD13 HD13 ' A' ' 654' ' ' ILE . 13.2 mt -66.13 -23.7 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 74.35 111.076 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -37.98 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 35.3 110.953 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 -24.19 15.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.902 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -78.49 -32.62 48.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 121.64 0.733 . . . . 51.02 110.84 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.801 0.25 . . . . 74.44 112.354 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . 0.455 ' HA ' ' CG ' ' B' ' 405' ' ' ARG . 1.5 t70 -78.6 0.44 26.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' B' ' 404' ' ' THR . 0.3 OUTLIER -144.24 124.31 13.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 74.45 110.833 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.468 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.56 140.58 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.51 111.162 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -118.14 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 70.12 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.792 HD12 HD23 ' B' ' 403' ' ' LEU . 18.1 mt -96.21 108.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 65.13 111.116 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.58 103.73 9.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.913 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.745 ' CZ ' HD21 ' A' ' 618' ' ' LEU . 19.6 m-85 -60.16 -30.54 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 72.45 110.883 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.66 -31.6 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.1 t -114.35 -24.52 8.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.194 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.4 tp -55.56 153.65 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.946 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 664' ' ' LEU . 0.1 OUTLIER -88.11 161.49 43.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 70.55 110.915 179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . 0.408 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.1 Cg_endo -69.75 -33.52 16.46 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.714 2.276 . . . . 63.21 112.324 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -57.53 -53.17 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 60.23 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.675 ' O ' HD22 ' A' ' 667' ' ' LEU . 94.7 m -67.11 -46.34 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 53.22 111.138 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -49.47 -47.31 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 73.44 110.928 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.6 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.88 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . 0.44 ' CG ' HG21 ' A' ' 636' ' ' ILE . 4.0 tp10 -56.26 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 63.5 110.884 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 663' ' ' THR . 0.3 OUTLIER -51.69 -57.76 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.923 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.598 ' HA ' HG12 ' A' ' 671' ' ' VAL . 3.1 tt0 -51.83 -35.07 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.91 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -33.56 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 71.51 110.863 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -56.44 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.1 p -55.57 -31.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 70.43 111.15 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 58.8 m -75.06 -35.74 61.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 74.03 111.188 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 64.34 110.885 -179.892 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.76 0.314 . . . . 54.03 111.188 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.518 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 12.5 m95 -76.77 170.21 16.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 64.23 110.877 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -155.6 172.73 17.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 65.04 110.877 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.5 HG23 HD13 ' B' ' 403' ' ' LEU . 3.7 p -140.94 154.58 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 41.23 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -160.88 123.21 3.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 63.05 110.84 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.19 151.78 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.862 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.47 -172.22 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.21 110.878 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -51.66 -31.93 27.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 64.35 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . 0.423 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.9 m-20 -47.37 163.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 70.21 110.922 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -18.53 37.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.795 2.33 . . . . 72.55 112.368 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.645 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -178.55 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.865 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 12.3 ttmt -106.31 92.09 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.954 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.71 HD12 HD21 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -83.3 110.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.07 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.14 107.97 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 63.55 110.875 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.792 HD23 HD12 ' A' ' 654' ' ' ILE . 3.6 mm? -93.55 142.14 27.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.913 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 651' ' ' GLU . 56.1 p -149.18 141.1 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 51.1 111.147 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . 0.455 ' CG ' ' HA ' ' A' ' 650' ' ' ASP . 4.3 mtt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 61.14 110.878 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.915 0.388 . . . . 64.43 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -83.65 153.3 64.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 63.42 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' PRO . . . . . 0.403 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.8 Cg_endo -69.74 150.0 67.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.62 2.214 . . . . 74.03 112.353 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 18.0 mmm -116.12 106.84 14.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 64.3 110.922 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.7 155.76 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.13 110.838 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -49.5 -31.78 10.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 70.05 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -62.56 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.846 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -70.71 -30.72 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 63.45 110.816 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' LYS . . . . . 0.728 ' HG2' HD22 ' A' ' 664' ' ' LEU . 5.6 mtmp? -64.14 -50.35 68.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.884 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' ARG . . . . . 0.658 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -56.36 -31.5 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.888 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -39.84 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.936 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 622' ' ' ILE . 4.1 mm? -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.45 110.836 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.33 -54.46 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 54.03 110.83 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.82 -51.1 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 61.32 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' ASP . . . . . 0.646 ' HB3' HG21 ' A' ' 671' ' ' VAL . 1.2 m-20 -49.2 -59.51 3.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 70.13 110.902 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' ILE . . . . . 0.819 HG22 HD12 ' A' ' 630' ' ' LEU . 3.4 mt -63.33 -33.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.101 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' ASN . . . . . 0.557 ' OD1' HG11 ' B' ' 392' ' ' VAL . 0.9 OUTLIER -62.14 -41.48 98.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.929 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -77.18 -28.49 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.838 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' LEU . . . . . 0.74 HD23 ' HB3' ' A' ' 629' ' ' LYS . 3.9 mp -63.07 160.84 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 73.35 110.946 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.64 33.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 74.2 112.323 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' GLY . . . . . 0.404 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.35 -51.38 37.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 61.1 112.544 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -49.95 -39.34 40.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.379 . . . . 71.3 110.86 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.74 ' HB3' HD23 ' A' ' 625' ' ' LEU . 0.0 OUTLIER -68.68 -35.95 77.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.926 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 630' ' ' LEU . . . . . 0.819 HD12 HG22 ' A' ' 622' ' ' ILE . 0.6 OUTLIER -71.58 -52.18 19.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.944 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.64 5.07 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.802 -0.713 . . . . 65.25 112.462 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -47.07 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 75.01 110.883 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 633' ' ' VAL . . . . . 0.796 HG21 HG12 ' A' ' 622' ' ' ILE . 89.5 t -63.23 -58.12 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 63.32 111.12 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 634' ' ' VAL . . . . . 0.672 HG12 HE21 ' A' ' 638' ' ' GLN . 7.9 t -50.01 -34.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.129 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -37.34 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.895 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 636' ' ' ILE . . . . . 0.464 ' HB ' HD11 ' A' ' 667' ' ' LEU . 1.0 OUTLIER -70.55 -58.72 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 72.04 111.144 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 637' ' ' ILE . . . . . 0.543 HD13 HD13 ' A' ' 654' ' ' ILE . 47.3 mt -55.17 -40.37 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 63.2 111.189 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 638' ' ' GLN . . . . . 0.672 HE21 HG12 ' A' ' 634' ' ' VAL . 2.9 pt20 -75.33 -14.19 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.878 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 14.9 t -88.38 -26.03 22.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -103.55 -34.51 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 61.02 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.74 . . . . 74.55 110.856 -179.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.779 0.241 . . . . 64.3 112.317 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -8.3 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.41 110.859 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' GLU . . . . . 0.445 ' HA ' HG22 ' B' ' 404' ' ' THR . 4.8 tt0 -140.61 132.52 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.864 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' ILE . . . . . 0.489 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.27 143.76 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 72.43 111.139 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 97.75 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 65.54 110.915 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' ILE . . . . . 0.819 HD12 HD23 ' B' ' 403' ' ' LEU . 22.0 mt -89.97 108.89 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.31 111.155 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' ASP . . . . . 0.581 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.8 OUTLIER -114.93 94.19 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.843 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' PHE . . . . . 0.695 ' CE2' HD12 ' B' ' 399' ' ' LEU . 7.2 m-30 -51.88 -27.82 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 71.5 110.903 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -54.22 -35.15 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.581 HG22 ' HB2' ' A' ' 655' ' ' ASP . 7.6 t -112.5 -20.94 11.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 65.13 111.094 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' LEU . . . . . 0.486 HD23 ' HG ' ' A' ' 664' ' ' LEU . 5.5 tp -55.39 144.79 24.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.982 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.39 161.45 42.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 71.01 110.841 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' PRO . . . . . 0.403 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.5 Cg_endo -69.76 -38.04 8.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 64.01 112.29 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.9 -48.73 60.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 53.43 110.879 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' THR . . . . . 0.659 ' O ' HD22 ' A' ' 667' ' ' LEU . 84.7 m -70.94 -49.92 40.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 61.24 111.142 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' LEU . . . . . 0.728 HD22 ' HG2' ' A' ' 615' ' ' LYS . 0.3 OUTLIER -48.95 -48.27 43.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.956 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -63.59 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.14 110.942 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -56.55 19.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.874 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 663' ' ' THR . 0.4 OUTLIER -51.13 -47.7 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.45 110.892 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' GLU . . . . . 0.606 ' HA ' HD11 ' A' ' 618' ' ' LEU . 43.8 tt0 -51.97 -35.49 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.884 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.86 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.91 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -83.43 -51.82 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 61.54 110.977 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 621' ' ' ASP . 5.0 p -56.57 -32.09 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 74.04 111.156 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.7 m -78.76 -34.62 45.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 52.24 111.145 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 54.21 110.907 -179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 389' ' ' THR . . . . . 0.404 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.808 0.337 . . . . 73.22 111.133 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 390' ' ' TRP . . . . . 0.541 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 7.6 m95 -88.56 173.7 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 64.21 110.936 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -146.13 161.17 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.43 110.845 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 392' ' ' VAL . . . . . 0.557 HG11 ' OD1' ' A' ' 623' ' ' ASN . 3.9 p -137.81 142.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 70.03 111.178 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -141.64 111.19 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.923 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 158.44 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 73.54 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 7.8 t -124.99 -170.91 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 63.43 110.908 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -63.58 -24.5 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.994 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -45.75 162.37 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 74.03 110.896 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -17.47 37.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 73.32 112.327 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 399' ' ' LEU . . . . . 0.695 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -179.33 60.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 63.53 110.89 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -112.07 121.48 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.902 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 401' ' ' ILE . . . . . 0.439 HD12 HD21 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -122.11 113.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.183 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.07 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.881 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 403' ' ' LEU . . . . . 0.819 HD23 HD12 ' A' ' 654' ' ' ILE . 3.2 mm? -96.8 138.48 34.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 404' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 651' ' ' GLU . 25.5 p -148.31 143.24 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.163 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.01 110.845 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.892 0.377 . . . . 74.25 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 7.8 m -142.56 -77.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 44.25 110.814 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 64.21 27.61 13.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 71.54 110.825 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.67 -75.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 65.43 110.842 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 71.97 -68.22 0.23 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 71.21 110.909 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -53.74 -35.21 60.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.127 -0.488 . . . . 72.3 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -65.85 -30.49 71.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.932 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 49.1 t -80.43 106.54 12.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.88 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.99 157.99 36.98 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 64.41 110.884 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . 0.4 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.4 Cg_endo -69.68 157.96 58.73 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.712 2.274 . . . . 72.2 112.372 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.507 ' HB2' HD23 ' A' ' 664' ' ' LEU . 15.8 mmm -117.09 120.76 39.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 61.13 110.867 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.35 149.23 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 53.54 110.85 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -51.3 -33.3 28.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 73.22 110.935 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -51.04 -61.04 2.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 75.11 110.888 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -62.73 -47.66 82.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 54.33 110.919 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.477 ' HE3' HD21 ' A' ' 664' ' ' LEU . 5.0 mtpt -52.14 -39.61 60.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 61.21 110.934 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.746 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -55.28 -61.24 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 61.22 110.865 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.9 tp60 -57.0 -23.77 48.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 71.45 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.435 HD21 ' CG ' ' A' ' 668' ' ' GLU . 1.0 OUTLIER -77.24 -45.73 25.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 72.0 110.908 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.629 ' HB3' HD11 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -51.7 -45.9 63.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 61.45 110.903 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 24.5 tp -70.12 -48.59 56.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 73.11 110.901 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -52.65 -56.37 15.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 70.31 110.857 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 94.7 mt -51.86 -35.59 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 44.33 111.157 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -72.61 -33.21 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 72.1 110.934 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.99 -28.7 66.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.896 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 1.026 HD11 HG23 ' A' ' 671' ' ' VAL . 14.7 mt -57.89 154.62 27.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 54.03 110.922 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . 0.415 ' HD2' ' HB3' ' A' ' 625' ' ' LEU . 53.8 Cg_endo -69.78 165.31 31.42 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 53.44 112.346 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -49.05 -56.34 10.37 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 55.02 112.483 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -50.43 -38.31 42.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 61.53 110.912 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.691 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -67.53 -35.35 78.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 73.24 110.926 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' B' ' 390' ' ' TRP . 0.6 OUTLIER -65.46 -47.51 75.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 61.32 110.959 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.3 -40.28 45.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 62.22 112.509 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.51 -45.27 69.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 74.12 110.839 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 629' ' ' LYS . 38.4 t -62.11 -56.61 16.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 65.3 111.13 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 1.044 HG22 HD23 ' B' ' 403' ' ' LEU . 19.4 t -51.04 -33.12 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 75.01 111.114 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -64.32 -38.13 89.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 55.34 110.859 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.461 HD12 HD23 ' A' ' 667' ' ' LEU . 3.7 mt -56.28 -51.9 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.144 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.757 HD13 HD13 ' A' ' 654' ' ' ILE . 5.9 mt -72.16 -31.72 40.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 75.04 111.131 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -65.42 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.88 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.39 -27.55 14.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.866 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.52 -32.85 48.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.469 ' HG2' HD23 ' A' ' 644' ' ' LEU . 0.6 OUTLIER -88.97 123.53 67.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.658 0.742 . . . . 75.15 110.818 -179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -42.9 2.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 52.14 112.323 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 32.7 t -62.39 -28.92 70.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 75.32 110.856 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.723 HD11 HG12 ' A' ' 652' ' ' ILE . 0.4 OUTLIER -60.99 -166.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.867 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt 69.03 35.59 2.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.895 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -69.03 175.95 3.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 72.44 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 90.1 p -59.16 -21.92 60.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 55.33 110.826 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -108.86 87.46 4.55 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 74.31 110.926 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -7.43 21.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 61.51 112.368 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.84 10.68 17.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 64.24 110.847 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.437 ' HG2' HG22 ' B' ' 404' ' ' THR . 2.7 tt0 -144.91 145.38 31.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 72.21 110.877 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.723 HG12 HD11 ' A' ' 644' ' ' LEU . 0.0 OUTLIER -142.25 141.92 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 61.02 111.124 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -116.06 99.67 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.774 HD11 HD22 ' B' ' 403' ' ' LEU . 4.8 mt -95.84 109.13 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 74.43 111.18 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -121.23 99.06 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 71.23 110.893 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' B' ' 399' ' ' LEU . 13.9 m-30 -58.13 -20.35 39.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.34 110.893 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -61.32 -31.48 71.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 72.44 110.876 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.7 t -117.48 -24.92 7.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 62.02 111.154 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -55.36 156.97 3.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 73.44 110.931 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -88.72 163.35 35.8 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.703 . . . . 55.15 110.902 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . 0.4 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.6 Cg_endo -69.76 -30.08 22.85 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.691 2.261 . . . . 53.41 112.324 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -61.63 -52.52 64.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 63.22 110.814 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 51.6 m -64.12 -45.95 86.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 55.13 111.139 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.1 mp -50.41 -57.52 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.254 -0.43 . . . . 43.12 110.944 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -64.19 -34.66 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 74.03 110.871 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -50.48 -44.58 55.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 54.11 110.905 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.72 HD11 HD11 ' A' ' 637' ' ' ILE . 10.4 mt -70.15 -35.5 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 72.33 110.898 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.53 ' HA ' HG12 ' A' ' 671' ' ' VAL . 13.9 tm-20 -64.04 -33.03 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 75.1 110.901 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -73.11 -31.29 64.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 73.02 110.866 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -83.93 -36.28 23.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 64.5 110.924 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 1.026 HG23 HD11 ' A' ' 625' ' ' LEU . 4.4 p -75.07 -31.97 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 71.54 111.153 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -79.54 -33.0 42.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 74.11 111.157 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 23.7 t -69.37 -33.14 72.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 55.11 110.855 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 63.9 m -88.49 -50.67 6.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 72.21 110.914 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.06 -28.08 67.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.887 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.47 172.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 71.04 110.877 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -168.6 -70.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 72.41 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 64.43 110.917 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.752 0.311 . . . . 72.04 111.142 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.682 ' HB3' HD13 ' A' ' 630' ' ' LEU . 5.6 m95 -71.12 155.13 41.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.907 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -126.01 167.89 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.901 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.543 HG22 ' CD1' ' B' ' 403' ' ' LEU . 73.2 t -151.7 145.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 74.11 111.134 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.3 117.95 3.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 54.24 110.892 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.12 172.49 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 71.22 110.874 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.0 -172.51 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.818 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -60.73 -27.96 68.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 54.53 110.888 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.52 164.62 0.24 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.679 0.752 . . . . 71.15 110.894 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -18.57 37.03 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.723 2.282 . . . . 72.24 112.373 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.746 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.2 OUTLIER -176.68 57.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 60.55 110.937 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -103.93 101.83 11.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 72.31 110.874 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.638 HG22 ' CD1' ' B' ' 403' ' ' LEU . 1.5 mp -92.31 114.23 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.3 111.097 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.35 106.32 18.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 72.12 110.902 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 1.044 HD23 HG22 ' A' ' 634' ' ' VAL . 1.7 mp -99.94 136.1 40.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 61.5 110.916 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.437 HG22 ' HG2' ' A' ' 651' ' ' GLU . 29.5 p -150.32 146.12 26.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 74.12 111.143 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 22.7 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.906 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.833 0.349 . . . . 74.23 110.869 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 29.4 m -91.4 -74.55 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 55.52 110.857 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 51.77 35.49 15.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.823 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -179.35 35.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.44 110.894 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -126.22 -55.85 1.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 43.23 110.838 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -74.15 -35.16 64.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 73.42 110.851 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -94.04 18.64 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.921 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 44.2 t -94.54 105.53 17.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 43.23 110.871 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -98.38 153.39 38.04 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 63.23 110.827 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.71 48.7 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 71.5 112.383 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 7.2 mmm -132.39 132.37 42.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 73.43 110.867 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -106.66 177.07 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 74.52 110.825 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -62.82 -25.99 68.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.092 -0.503 . . . . 74.45 110.935 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.72 -60.72 3.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.506 . . . . 62.43 110.866 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.76 -25.54 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 71.03 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -70.77 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 71.15 110.847 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.488 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -48.38 -33.22 8.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 71.14 110.926 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -71.29 -51.85 22.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 61.34 110.905 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 619' ' ' SER . 0.1 OUTLIER -60.56 -40.59 92.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 54.45 110.989 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.539 ' N ' HD23 ' A' ' 618' ' ' LEU . 53.6 p -51.6 -47.11 63.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 73.24 110.876 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.02 -44.24 31.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 73.33 110.926 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -51.65 -60.41 3.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 71.24 110.903 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.762 HD13 HG11 ' A' ' 633' ' ' VAL . 87.4 mt -57.83 -35.79 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 75.44 111.159 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . 0.568 ' ND2' HG11 ' B' ' 392' ' ' VAL . 2.2 t-20 -62.78 -35.71 80.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 63.2 110.87 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -69.04 -28.61 66.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 74.1 110.894 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.461 HD23 ' HG3' ' A' ' 629' ' ' LYS . 6.4 mp -69.17 161.43 73.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.614 0.721 . . . . 61.24 110.874 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 164.39 34.76 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.673 2.249 . . . . 72.31 112.275 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.11 -39.68 42.27 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.694 -0.765 . . . . 31.12 112.502 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -49.83 -39.33 38.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.895 0.379 . . . . 72.01 110.871 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.609 ' O ' HG23 ' A' ' 633' ' ' VAL . 30.9 mmmt -70.97 -35.3 72.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 63.23 110.919 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.905 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -63.71 -65.42 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.924 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.76 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.746 -0.74 . . . . 52.0 112.451 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -72.69 -49.88 28.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 74.22 110.87 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.762 HG11 HD13 ' A' ' 622' ' ' ILE . 61.2 t -68.69 -58.55 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 51.44 111.151 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.905 HG11 HD23 ' A' ' 630' ' ' LEU . 10.8 m -46.55 -31.36 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.108 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -67.55 -46.27 73.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 64.12 110.903 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.5 mt -51.27 -45.39 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 75.45 111.112 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.694 HD11 HD13 ' A' ' 667' ' ' LEU . 2.8 mp -56.2 -60.35 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 65.24 111.146 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.681 ' HB3' HD11 ' A' ' 652' ' ' ILE . 19.7 pt20 -62.04 -14.79 39.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.14 110.93 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.06 -42.47 76.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.862 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 13.3 mtt180 -105.1 -35.27 7.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 53.33 110.845 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.72 ' OE1' HD23 ' A' ' 644' ' ' LEU . 22.6 tt0 -48.84 107.17 0.71 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.649 0.738 . . . . 72.22 110.906 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 54.0 Cg_endo -69.76 -43.06 2.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.262 . . . . 40.44 112.353 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.23 -28.18 67.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 74.42 110.897 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.72 HD23 ' OE1' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -57.04 97.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 63.3 110.948 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -137.14 33.18 2.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 74.22 110.922 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -56.64 136.26 54.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 61.43 110.887 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 10.3 p -57.72 -32.45 67.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 72.33 110.884 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -121.07 136.26 25.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 65.11 110.875 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -13.46 34.67 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.756 2.304 . . . . 42.44 112.398 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 650' ' ' ASP . 0.0 OUTLIER -73.98 -3.29 28.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 53.34 110.876 179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.478 ' HA ' HG22 ' B' ' 404' ' ' THR . 56.0 tt0 -129.34 138.1 51.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.865 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.681 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.7 OUTLIER -141.51 139.49 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 74.15 111.129 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -116.43 98.37 6.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 75.43 110.893 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.685 ' CD1' HD23 ' B' ' 403' ' ' LEU . 4.8 mt -98.32 109.94 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 70.41 111.17 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.33 104.9 8.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 62.21 110.924 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.666 ' CE2' HD12 ' B' ' 399' ' ' LEU . 21.7 m-85 -57.58 -27.7 62.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 71.15 110.873 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -49.21 -32.8 11.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 55.31 110.94 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.5 t -118.74 -23.72 6.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 75.05 111.153 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 4.0 tp -55.84 151.38 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.919 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.613 ' O ' HD12 ' A' ' 664' ' ' LEU . 0.8 OUTLIER -88.52 160.78 44.11 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 70.43 110.935 179.805 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -36.35 10.98 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.707 2.271 . . . . 75.51 112.346 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -53.47 -48.27 69.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 70.12 110.885 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.467 HG21 ' HA ' ' A' ' 637' ' ' ILE . 57.4 m -74.67 -40.77 61.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 75.43 111.083 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 660' ' ' LYS . 0.1 OUTLIER -53.84 -56.64 15.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 53.01 110.934 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -61.55 -35.76 78.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.42 110.939 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -50.41 -35.29 27.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 73.5 110.905 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.694 HD13 HD11 ' A' ' 637' ' ' ILE . 1.4 mt -75.06 -49.78 18.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 74.12 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.421 ' HA ' HG12 ' A' ' 671' ' ' VAL . 16.7 tt0 -55.84 -26.54 47.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 73.33 110.857 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.01 -35.79 56.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 64.32 110.913 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -77.25 -39.62 47.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 74.41 110.954 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 668' ' ' GLU . 8.6 p -67.24 -31.47 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.53 111.151 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 82.7 m -74.36 -33.32 63.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.089 -0.505 . . . . 65.14 111.099 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.3 t -64.98 -35.91 82.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 71.01 110.816 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 1.7 t -88.56 -43.97 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 62.33 110.89 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.66 -28.01 68.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.33 110.905 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 69.42 -75.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.823 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.25 -62.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 75.32 110.954 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 11.7 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 74.24 110.862 179.84 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.757 0.313 . . . . 74.44 111.143 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.796 ' HB3' HD22 ' A' ' 630' ' ' LEU . 12.2 m95 -92.05 155.05 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 74.41 110.905 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -125.51 169.96 11.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 73.13 110.867 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.568 HG11 ' ND2' ' A' ' 623' ' ' ASN . 7.6 p -135.52 147.59 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 60.15 111.191 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -168.14 119.46 0.82 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 71.45 110.896 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.09 168.03 20.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 64.23 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.09 -174.53 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 54.45 110.871 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -56.11 -31.14 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 54.25 110.874 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.415 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.8 m-20 -47.43 164.56 0.24 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 72.44 110.955 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -17.25 37.78 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.724 2.282 . . . . 74.43 112.332 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.666 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -178.59 59.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 71.53 110.909 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 18.3 ttmt -107.2 104.45 14.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.937 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.49 ' CG2' HG23 ' B' ' 392' ' ' VAL . 1.6 mp -89.04 109.77 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 74.34 111.142 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.03 105.4 17.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 74.44 110.889 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.685 HD23 ' CD1' ' A' ' 654' ' ' ILE . 2.4 mm? -102.4 142.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 54.31 110.943 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.478 HG22 ' HA ' ' A' ' 651' ' ' GLU . 35.9 p -147.77 144.07 27.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 71.51 111.16 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 42.1 mtp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 63.23 110.869 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.349 . . . . 71.54 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.16 -67.04 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 64.45 110.825 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 52.04 44.64 29.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 73.13 110.832 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -163.78 -43.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 61.11 110.892 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -52.67 -36.24 56.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 75.02 110.865 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -70.13 -35.17 73.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 73.12 110.855 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -69.23 -30.42 68.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.969 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 73.0 m -80.61 106.24 12.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 70.03 110.887 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -88.81 153.38 49.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.555 0.693 . . . . 75.43 110.902 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.6 Cg_endo -69.72 152.47 69.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 51.1 112.389 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.684 ' HB2' HD23 ' A' ' 664' ' ' LEU . 66.8 mmm -120.57 131.52 54.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 73.54 110.803 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.92 170.49 9.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 51.04 110.852 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -60.55 -29.31 69.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 73.52 110.909 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -57.35 -63.15 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 75.31 110.935 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -67.13 -31.29 71.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 73.43 110.903 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.589 ' HE3' HD21 ' A' ' 664' ' ' LEU . 10.1 mtpt -64.49 -46.76 81.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 73.12 110.89 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.806 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -57.06 -30.21 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.804 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . 0.401 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 7.4 tm0? -68.43 -36.01 78.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 65.52 110.897 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . . . . . . . . . 19.4 mt -63.79 -43.0 97.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 64.34 110.921 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.34 -45.09 92.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 71.11 110.861 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.73 -55.31 11.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.066 -0.516 . . . . 73.32 110.902 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . 0.57 ' HB3' HG21 ' A' ' 671' ' ' VAL . 1.5 t0 -51.87 -60.95 2.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 73.35 110.851 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 55.5 mt -52.5 -47.78 47.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.154 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -59.14 -36.08 74.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 71.21 110.893 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -76.05 -28.61 57.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 74.42 110.917 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.797 HD22 HG23 ' A' ' 671' ' ' VAL . 3.5 mp -60.96 159.79 24.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.6 0.714 . . . . 70.31 110.917 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 164.43 34.66 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.615 2.21 . . . . 61.11 112.271 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.41 -55.51 19.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 53.4 112.5 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -50.08 -37.0 31.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 75.03 110.889 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.596 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -65.54 -40.34 92.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 71.42 110.906 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -67.29 -43.42 81.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 74.11 110.937 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.57 -43.81 36.91 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.753 -0.736 . . . . 22.45 112.464 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -71.04 -46.9 61.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 54.52 110.844 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 629' ' ' LYS . 66.6 t -56.89 -55.86 17.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 63.01 111.116 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 1.002 HG22 HD23 ' B' ' 403' ' ' LEU . 21.8 t -52.07 -34.66 17.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 75.51 111.139 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 638' ' ' GLN . 12.3 t60 -62.35 -33.07 74.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 73.52 110.84 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.3 mt -76.08 -33.23 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 71.45 111.197 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.702 HD11 HD13 ' A' ' 667' ' ' LEU . 57.0 mt -77.16 -44.74 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.161 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.622 ' O ' HD22 ' A' ' 644' ' ' LEU . 4.6 pt20 -72.26 -14.4 61.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 62.54 110.913 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 3.9 m -87.36 -31.38 20.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.834 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.33 -33.61 11.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 75.44 110.919 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -58.21 110.97 2.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.665 0.745 . . . . 63.53 111.006 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -42.62 3.24 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 72.04 112.286 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 70.3 m -55.27 -35.55 65.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 70.22 110.899 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 638' ' ' GLN . 1.4 tt -62.44 93.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.925 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -129.5 35.54 4.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 75.34 110.904 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -98.51 153.66 18.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 45.31 110.834 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 4.6 p -87.21 7.37 28.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.089 -0.505 . . . . 52.32 110.819 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . 0.431 ' HA ' ' HD2' ' A' ' 649' ' ' PRO . 4.0 t30 -107.73 93.52 10.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 73.13 110.935 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 648' ' ' ASN . 52.9 Cg_endo -69.71 -6.95 19.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 72.34 112.333 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.99 7.63 23.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.85 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.457 ' HA ' HG22 ' B' ' 404' ' ' THR . 7.1 tt0 -145.15 141.14 28.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 72.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.487 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.0 OUTLIER -143.21 143.52 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.138 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 99.09 6.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.902 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.903 HD11 HD22 ' B' ' 403' ' ' LEU . 16.0 mt -89.9 109.07 20.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 71.35 111.149 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -116.08 89.26 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 70.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.605 ' CE2' HD12 ' B' ' 399' ' ' LEU . 4.0 m-30 -51.18 -28.07 10.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.792 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.36 -31.47 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 63.04 110.889 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.2 t -114.67 -20.85 10.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 62.32 111.169 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.713 HD23 ' CD1' ' A' ' 664' ' ' LEU . 5.2 tp -55.37 145.2 22.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 72.43 110.881 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.65 162.66 38.31 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.709 . . . . 74.41 110.922 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . 0.407 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.2 Cg_endo -69.77 -34.78 13.87 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.601 2.2 . . . . 71.41 112.349 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -55.56 -43.81 76.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.32 110.824 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 7.1 m -78.31 -37.87 43.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 73.43 111.161 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.713 ' CD1' HD23 ' A' ' 659' ' ' LEU . 1.1 mp -53.23 -60.21 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 44.2 110.871 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 64.2 ttt180 -61.71 -34.44 75.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 71.22 110.886 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.57 -38.36 31.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.866 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.702 HD13 HD11 ' A' ' 637' ' ' ILE . 1.3 mt -73.62 -47.6 38.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 74.13 110.891 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -52.68 -29.63 27.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 71.4 110.945 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.32 -36.83 61.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 73.31 110.86 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -76.45 -44.63 34.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 61.2 110.863 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.797 HG23 HD22 ' A' ' 625' ' ' LEU . 8.5 p -60.15 -32.81 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 63.32 111.08 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.5 m -75.71 -33.54 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 73.3 111.182 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.62 -35.69 73.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 63.41 110.827 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 63.6 m -82.4 -50.37 8.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 63.02 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.737 HD23 ' CD1' ' A' ' 625' ' ' LEU . 0.5 OUTLIER -68.43 -28.72 67.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.905 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.33 176.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 52.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? 69.21 -75.17 0.07 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 71.41 110.912 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 64.41 110.958 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.756 0.312 . . . . 70.33 111.11 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.677 ' HB3' HD22 ' A' ' 630' ' ' LEU . 5.8 m95 -76.18 152.27 36.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 64.5 110.895 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.23 167.68 13.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 72.21 110.776 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.626 HG13 HD12 ' B' ' 403' ' ' LEU . 85.7 t -150.88 146.49 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 70.5 111.156 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -147.1 110.31 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 72.41 110.949 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.08 176.94 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 70.14 110.888 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -140.21 -168.97 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.845 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -69.79 -27.67 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 73.12 110.906 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.421 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -47.12 163.87 0.24 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.615 0.722 . . . . 71.34 110.87 -179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -18.66 36.95 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.689 2.259 . . . . 62.13 112.314 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.806 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.2 OUTLIER -173.43 58.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 71.31 110.94 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 25.9 ttmt -112.16 123.18 49.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 74.31 110.906 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.685 HD12 ' HB ' ' A' ' 654' ' ' ILE . 0.2 OUTLIER -128.28 118.29 47.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 74.15 111.129 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -88.16 106.37 18.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 74.23 110.874 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 1.002 HD23 HG22 ' A' ' 634' ' ' VAL . 3.0 mp -94.24 134.38 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 75.42 110.942 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 651' ' ' GLU . 20.7 p -146.65 148.09 31.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 63.22 111.116 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 75.14 110.877 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.866 0.365 . . . . 75.44 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.76 105.04 2.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 74.41 110.863 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.37 -36.74 79.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.127 -0.488 . . . . 62.3 110.945 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -92.95 48.29 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 73.14 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -96.66 -36.08 10.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.158 -0.474 . . . . 74.14 110.856 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -57.15 -35.18 69.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.176 -0.466 . . . . 63.43 110.877 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -30.54 69.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 74.43 110.856 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 33.3 m -77.1 106.23 8.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 70.4 110.838 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -97.57 156.34 36.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.569 0.699 . . . . 51.11 110.893 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 153.64 68.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.688 2.259 . . . . 71.42 112.38 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.452 ' HB2' HD23 ' A' ' 664' ' ' LEU . 60.2 mmm -118.44 109.0 15.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.873 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.1 t -72.02 167.5 20.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 75.32 110.902 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . 0.401 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 15.4 p90 -53.79 -27.98 32.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.913 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -56.76 -61.98 2.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.097 -0.501 . . . . 71.15 110.921 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -67.58 -32.06 72.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 75.45 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.401 ' HB2' ' HA ' ' A' ' 612' ' ' TYR . 2.5 mtpt -62.81 -54.82 33.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.849 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.672 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.57 -31.24 23.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 71.11 110.889 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -65.1 -39.18 92.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 70.24 110.897 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.625 HD11 ' CA ' ' A' ' 668' ' ' GLU . 4.2 mm? -64.86 -35.73 82.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 61.51 110.952 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.2 -51.45 68.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 61.33 110.839 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.95 -53.17 13.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 70.13 110.902 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -50.64 -53.97 26.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 64.2 110.883 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.81 -27.73 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 63.11 111.14 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -87.87 -0.72 57.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.873 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -100.68 -29.61 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 63.01 110.869 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.827 HD22 ' HB3' ' A' ' 629' ' ' LYS . 1.5 pp -70.49 157.74 89.35 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.632 0.73 . . . . 65.14 110.911 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 625' ' ' LEU . 53.4 Cg_endo -69.82 163.71 37.31 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.691 2.261 . . . . 74.24 112.304 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.65 -45.19 47.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 63.14 112.55 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -49.54 -39.96 36.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 70.43 110.886 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.827 ' HB3' HD22 ' A' ' 625' ' ' LEU . 28.3 mmmt -67.74 -38.35 83.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.32 110.869 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.85 HD23 HG11 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -55.17 -60.64 3.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.887 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.7 -36.3 8.16 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.749 -0.738 . . . . 72.42 112.459 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -49.93 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 74.41 110.825 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.543 HG13 HD12 ' A' ' 667' ' ' LEU . 98.9 t -66.11 -57.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 72.12 111.176 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 1.015 HG12 HD23 ' B' ' 403' ' ' LEU . 9.0 m -48.6 -33.12 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 71.32 111.114 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -64.67 -42.16 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.824 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.6 mt -53.53 -51.53 41.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.458 . . . . 60.11 111.089 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.442 HD11 ' HG ' ' A' ' 667' ' ' LEU . 1.5 mp -51.22 -64.49 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.144 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.532 ' HB3' HD11 ' A' ' 652' ' ' ILE . 14.8 pt20 -55.43 -22.43 20.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 71.14 110.855 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -34.64 75.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 73.32 110.862 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -121.04 17.77 11.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 71.32 110.813 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 642' ' ' PRO . 8.4 tp10 -110.13 92.41 13.14 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.679 0.752 . . . . 63.14 110.899 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 53.3 Cg_endo -69.92 -37.76 8.35 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.649 2.233 . . . . 43.55 112.318 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.61 -32.37 58.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 75.43 110.83 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.537 ' O ' HD23 ' A' ' 644' ' ' LEU . 0.5 OUTLIER -51.43 101.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.117 -0.492 . . . . 65.22 110.932 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 13.7 tptt -108.33 35.62 3.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 63.1 110.943 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -71.99 114.17 9.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 54.24 110.931 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 87.8 p -57.61 -32.03 66.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.893 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -108.26 136.66 19.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.589 0.709 . . . . 64.04 110.903 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.19 20.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 75.1 112.369 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . 0.434 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -93.29 23.72 4.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 64.11 110.845 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -145.44 136.61 24.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 55.42 110.871 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.1 OUTLIER -141.79 141.83 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 63.42 111.124 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -124.23 98.43 5.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 62.11 110.832 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.738 ' CD1' HD22 ' B' ' 403' ' ' LEU . 2.2 mp -92.79 109.1 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 64.42 111.145 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -124.01 95.62 4.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 71.05 110.89 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.778 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.4 m-30 -53.68 -25.51 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 75.24 110.91 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -34.77 61.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 75.43 110.908 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -117.27 -22.66 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 75.14 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -55.2 160.44 2.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.213 -0.448 . . . . 75.45 110.926 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.41 ' HB2' ' HD2' ' A' ' 661' ' ' PRO . 0.0 OUTLIER -88.91 156.8 49.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.578 0.704 . . . . 61.2 110.912 179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 660' ' ' LYS . 53.5 Cg_endo -69.74 -30.81 21.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.617 2.211 . . . . 71.43 112.452 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -42.8 99.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 62.23 110.863 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.746 ' O ' HD22 ' A' ' 667' ' ' LEU . 7.8 m -73.45 -47.49 41.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 64.02 111.144 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.623 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.0 mp -46.2 -54.83 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 71.35 110.958 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -62.31 -32.83 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.02 -58.0 7.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 74.15 110.9 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.746 HD22 ' O ' ' A' ' 663' ' ' THR . 0.3 OUTLIER -52.43 -47.58 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 64.43 110.908 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.625 ' CA ' HD11 ' A' ' 618' ' ' LEU . 30.2 tt0 -51.68 -38.13 53.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 53.52 110.833 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -62.6 -35.22 78.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.819 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -82.17 -52.86 6.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.935 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.728 HG23 HD23 ' A' ' 625' ' ' LEU . 2.9 p -56.52 -31.21 33.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 61.43 111.112 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 68.2 m -78.83 -32.32 46.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 75.1 111.139 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.5 t -68.35 -34.05 75.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.913 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 18.2 t -88.84 -50.37 6.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 52.12 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 12.5 tp -66.49 -28.11 68.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 62.21 110.888 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 72.28 -68.91 0.2 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 64.41 110.819 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.99 84.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 64.34 110.897 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.858 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.766 0.317 . . . . 75.21 111.165 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.74 ' HB3' HD22 ' A' ' 630' ' ' LEU . 8.8 m95 -92.46 160.51 15.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 71.55 110.884 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -120.43 172.04 8.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.916 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.736 HG23 HD11 ' B' ' 403' ' ' LEU . 9.1 p -143.83 147.17 20.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 64.31 111.146 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -165.84 123.86 1.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 74.41 110.889 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.13 172.3 12.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 71.23 110.825 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 m -133.02 -171.86 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.895 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.55 -27.32 69.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.903 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.1 m-80 -47.31 164.75 0.23 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 74.21 110.867 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -16.76 37.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.24 . . . . 54.41 112.348 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.778 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -179.48 58.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 53.41 110.933 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 27.0 ttmt -107.14 112.37 25.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 72.32 110.877 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.635 HG22 ' CD1' ' B' ' 403' ' ' LEU . 1.7 mp -101.96 114.04 40.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 72.43 111.171 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.23 105.03 17.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 63.35 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 1.015 HD23 HG12 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -102.96 139.06 39.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 74.02 110.889 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 28.0 p -151.01 145.65 25.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 72.13 111.162 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.434 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.6 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 71.33 110.869 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.929 0.395 . . . . 72.23 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 14.4 m -65.54 -72.82 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 55.03 110.785 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 53.77 47.74 22.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 54.31 110.879 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -168.84 -41.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 71.3 110.906 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.47 -36.48 76.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 73.25 110.832 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -55.48 -35.21 65.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 73.12 110.848 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -80.78 -30.47 36.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.876 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 99.4 m -77.95 107.63 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.45 110.878 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -93.09 155.8 40.88 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.51 0.671 . . . . 62.41 110.903 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 161.07 47.35 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.271 . . . . 32.42 112.312 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 52.3 mmm -119.1 107.0 12.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.03 110.88 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 12.5 m -59.36 155.67 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.829 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -51.53 -35.69 41.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 74.03 110.933 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -61.34 -47.89 83.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 75.43 110.886 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.0 -59.44 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 71.22 110.901 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 0.6 OUTLIER -60.37 -33.64 72.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.867 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.758 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -51.16 -40.55 58.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 75.12 110.838 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -73.31 -31.86 64.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 73.55 110.878 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.796 HD21 ' HB2' ' A' ' 668' ' ' GLU . 4.4 mp -63.92 -46.47 84.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 72.3 110.953 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.564 ' OG ' HD11 ' B' ' 399' ' ' LEU . 0.3 OUTLIER -57.1 -50.45 72.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.159 -0.473 . . . . 73.23 110.844 -179.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -56.05 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.974 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . 0.441 ' OD2' HG22 ' A' ' 671' ' ' VAL . 38.2 t0 -50.57 -58.04 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 63.52 110.853 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.695 HD13 HG11 ' A' ' 633' ' ' VAL . 71.8 mt -57.78 -35.8 52.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 73.42 111.088 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -66.35 -41.45 89.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 71.54 110.889 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.68 -28.61 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 73.02 110.939 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 622' ' ' ILE . 24.3 mt -57.49 159.74 8.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.12 110.928 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 164.26 35.18 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.763 2.309 . . . . 74.12 112.356 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . 0.501 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.21 -55.79 17.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 65.24 112.511 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -49.57 -38.49 31.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.94 0.4 . . . . 75.14 110.89 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.59 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.7 mmtm -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 75.1 110.911 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.832 HD21 HD12 ' B' ' 403' ' ' LEU . 0.5 OUTLIER -70.52 -47.87 58.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 73.03 110.94 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.22 -43.66 9.6 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.76 -0.733 . . . . 51.45 112.524 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -67.06 -47.15 72.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 65.31 110.818 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.772 HG13 HD12 ' A' ' 667' ' ' LEU . 38.1 t -59.87 -59.65 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 74.14 111.123 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.596 HG22 ' HG ' ' B' ' 403' ' ' LEU . 11.0 t -51.9 -33.69 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 73.23 111.143 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . 0.47 ' HA ' ' HG2' ' A' ' 638' ' ' GLN . 33.4 t60 -63.87 -29.16 70.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 71.02 110.9 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.749 ' HB ' HD11 ' A' ' 667' ' ' LEU . 0.9 OUTLIER -75.78 -38.48 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 70.11 111.118 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.727 HD11 ' HG ' ' A' ' 667' ' ' LEU . 4.2 mp -73.36 -46.35 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 64.54 111.158 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 635' ' ' HIS . 4.7 pt20 -67.71 -19.55 65.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.917 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 52.2 m -95.56 -35.76 11.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 72.23 110.851 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -80.63 -32.8 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 71.31 110.872 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -78.85 113.69 37.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.689 0.756 . . . . 64.31 110.927 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -36.76 10.4 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.716 2.278 . . . . 62.11 112.337 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 3.1 t -67.02 -35.48 79.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 64.42 110.825 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.636 HD21 ' H ' ' A' ' 653' ' ' GLU . 0.3 OUTLIER -51.92 102.69 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.942 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 19.9 tttm -147.66 41.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 74.13 110.867 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.35 149.95 3.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 53.51 110.853 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 67.0 p -57.99 -34.79 70.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 45.01 110.832 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -118.24 136.4 23.92 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 74.42 110.901 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -7.18 20.37 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.679 2.252 . . . . 64.2 112.356 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.94 20.58 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 73.31 110.854 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.456 ' HA ' HG22 ' B' ' 404' ' ' THR . 32.4 tt0 -147.83 136.52 21.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 74.24 110.882 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.576 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.1 142.38 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 70.25 111.133 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.636 ' H ' HD21 ' A' ' 644' ' ' LEU . 42.9 tt0 -117.0 98.17 6.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 73.13 110.897 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.837 HD12 HD23 ' B' ' 403' ' ' LEU . 14.4 mt -91.48 109.61 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 60.24 111.1 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -122.83 94.67 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 72.31 110.914 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.704 ' CG ' HD21 ' A' ' 664' ' ' LEU . 22.2 m-85 -57.39 -28.34 63.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 72.43 110.913 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -51.2 -31.79 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 70.44 110.872 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.4 t -118.29 -23.52 7.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.471 . . . . 72.42 111.15 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 3.8 tp -55.3 160.28 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 65.11 110.848 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.563 ' O ' HD12 ' A' ' 664' ' ' LEU . 28.4 mttt -88.34 158.24 49.3 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.525 0.679 . . . . 62.25 110.862 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -38.88 7.19 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.604 2.203 . . . . 70.35 112.335 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -51.56 -45.66 63.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 61.02 110.892 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.506 ' O ' HD22 ' A' ' 667' ' ' LEU . 25.0 m -73.88 -51.1 17.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 75.42 111.094 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.704 HD21 ' CG ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -47.06 -47.97 22.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.89 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -68.98 -33.14 73.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 64.22 110.888 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 25.7 tp10 -51.96 -50.03 62.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.869 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.772 HD12 HG13 ' A' ' 633' ' ' VAL . 1.9 mm? -66.58 -35.09 79.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.814 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.796 ' HB2' HD21 ' A' ' 618' ' ' LEU . 28.9 tt0 -60.21 -29.9 69.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 74.12 110.873 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -35.65 58.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.35 110.926 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -78.27 -40.6 36.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 71.1 110.938 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.441 HG22 ' OD2' ' A' ' 621' ' ' ASP . 7.3 p -66.17 -31.6 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 34.5 111.14 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.2 m -78.39 -28.19 46.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 42.31 111.115 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 43.9 t -71.76 -34.26 69.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 54.32 110.835 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 34.8 t -88.49 -51.0 5.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 61.23 110.946 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 675' ' ' LEU . 0.2 OUTLIER -70.17 -28.15 65.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 65.54 110.839 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 69.65 -75.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 74.51 110.82 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -178.13 137.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 54.45 110.91 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 9.3 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 72.14 110.926 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . 0.501 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.876 0.369 . . . . 71.31 111.124 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.486 ' HB3' HD22 ' A' ' 630' ' ' LEU . 6.5 m95 -85.7 172.34 10.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.887 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -149.34 165.1 33.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.834 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.42 HG23 HD22 ' B' ' 403' ' ' LEU . 3.0 p -135.01 148.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 42.41 111.137 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -136.39 96.27 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 64.34 110.922 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.24 157.39 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 54.22 110.849 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.1 t -129.69 -178.29 4.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.41 110.887 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -57.39 -25.09 58.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.888 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -45.99 162.33 0.24 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.72 . . . . 74.34 110.92 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -20.79 34.28 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.744 2.296 . . . . 53.15 112.321 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.758 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -175.49 60.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 73.31 110.955 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -112.56 117.7 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 71.11 110.815 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -118.77 109.86 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 71.32 111.188 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.5 mmm-85 -84.29 101.21 11.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 64.53 110.835 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.837 HD23 HD12 ' A' ' 654' ' ' ILE . 3.3 mm? -84.85 137.38 33.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 65.43 110.928 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 651' ' ' GLU . 19.0 p -147.92 143.9 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.43 111.173 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.891 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.86 0.362 . . . . 75.15 110.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.36 122.59 9.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 62.21 110.869 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -35.71 75.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 61.32 110.882 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -94.48 50.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 73.34 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -113.38 -34.36 5.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 71.11 110.827 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.37 -35.13 18.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.816 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.46 18.63 18.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 63.44 110.929 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.8 p -51.98 108.22 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 70.42 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 2.4 mppp? -90.65 154.67 45.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.61 0.719 . . . . 54.35 110.813 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 159.95 51.46 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.663 2.242 . . . . 50.24 112.294 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.683 ' HB3' HD22 ' A' ' 664' ' ' LEU . 23.7 mmm -141.98 128.65 20.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 70.43 110.906 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.77 178.05 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 52.33 110.866 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -50.93 -35.35 32.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 73.31 110.911 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -54.28 -33.31 58.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 73.32 110.903 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.58 -62.09 1.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 73.24 110.878 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.745 ' HG2' HD21 ' A' ' 664' ' ' LEU . 25.6 mmmt -61.92 -28.89 69.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.21 110.879 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -54.44 -61.4 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 62.41 110.927 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -73.04 -33.9 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.926 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.702 HD21 ' HB2' ' A' ' 668' ' ' GLU . 0.8 OUTLIER -61.34 -38.13 85.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 74.02 110.915 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -45.61 80.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 61.44 110.872 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.62 -54.93 40.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 75.15 110.893 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . 0.414 ' HB3' HD12 ' A' ' 675' ' ' LEU . 79.8 m-20 -51.89 -53.79 36.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 72.21 110.875 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.94 HD13 HG11 ' A' ' 633' ' ' VAL . 59.8 mt -62.03 -37.31 78.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 62.43 111.129 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -64.69 -41.28 96.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 73.32 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.84 -28.39 60.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.907 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.631 HD13 ' HE3' ' A' ' 629' ' ' LYS . 24.3 mt -66.84 160.09 71.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.696 0.76 . . . . 73.23 110.851 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 164.42 34.63 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.665 2.244 . . . . 54.25 112.358 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.67 -39.54 38.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.809 -0.71 . . . . 62.01 112.482 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -49.73 -38.79 35.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.889 0.376 . . . . 74.13 110.885 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.634 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.1 OUTLIER -72.48 -45.67 58.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 64.44 110.866 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.775 HD23 HG11 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -58.57 -55.57 33.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 72.42 110.89 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -46.37 -40.65 11.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.796 -0.716 . . . . 71.53 112.51 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 17.9 mtt180 -76.62 -45.88 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 65.14 110.837 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.94 HG11 HD13 ' A' ' 622' ' ' ILE . 90.4 t -64.42 -63.67 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 71.13 111.111 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.775 HG11 HD23 ' A' ' 630' ' ' LEU . 10.9 m -50.31 -29.66 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.43 111.13 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -64.99 -35.11 80.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 65.44 110.866 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -66.71 -46.26 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 73.3 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.6 HG21 HG12 ' A' ' 654' ' ' ILE . 2.4 mp -50.81 -61.74 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 75.4 111.167 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.468 ' HA ' HD12 ' A' ' 644' ' ' LEU . 10.7 pt20 -51.48 -29.45 16.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 51.22 110.953 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 t -64.52 -33.04 74.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 73.24 110.84 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -120.25 19.23 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 74.54 110.855 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.557 ' HB3' HD12 ' A' ' 644' ' ' LEU . 5.6 tt0 -106.87 92.45 7.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 75.01 110.905 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 52.7 Cg_endo -69.8 -37.49 9.0 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.684 2.256 . . . . 62.11 112.255 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 8.1 t -55.3 -34.85 64.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.857 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.845 HD11 HG12 ' A' ' 652' ' ' ILE . 2.5 mt -50.04 -76.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 73.11 110.923 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt 48.69 85.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 71.11 110.868 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -163.51 147.27 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 71.1 110.877 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -89.58 8.36 31.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.24 110.776 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 649' ' ' PRO . 4.4 t30 -107.56 91.89 7.8 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.709 . . . . 51.23 110.854 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 648' ' ' ASN . 53.7 Cg_endo -69.76 -7.92 22.29 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 73.33 112.378 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.6 1.71 32.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 61.25 110.909 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.415 ' HG2' HG22 ' B' ' 404' ' ' THR . 0.9 OUTLIER -142.83 139.91 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 75.43 110.91 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.845 HG12 HD11 ' A' ' 644' ' ' LEU . 1.1 tt -142.05 144.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 73.01 111.129 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -119.94 96.7 5.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 70.53 110.933 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.749 ' CG2' HD11 ' A' ' 659' ' ' LEU . 8.5 mt -85.97 112.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 62.51 111.084 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.53 114.93 17.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.41 110.839 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.574 ' HA ' HD12 ' A' ' 659' ' ' LEU . 0.1 OUTLIER -55.03 -31.34 61.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.941 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.16 -17.82 54.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 72.01 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.0 p -118.68 -26.85 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.125 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.749 HD11 ' CG2' ' A' ' 654' ' ' ILE . 13.6 mt -58.99 135.67 57.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.02 110.936 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 165.24 25.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.536 0.684 . . . . 73.2 110.91 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.28 33.84 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.677 2.251 . . . . 73.31 112.331 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.67 -44.62 23.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 64.52 110.849 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 1.6 m -58.48 -55.41 35.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.45 111.193 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.745 HD21 ' HG2' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -50.73 -49.53 57.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 70.31 110.898 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -31.71 21.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.863 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -76.0 -38.86 56.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 62.15 110.891 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.554 HD13 HD11 ' A' ' 637' ' ' ILE . 4.9 mt -65.12 -59.95 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 72.21 110.941 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.702 ' HB2' HD21 ' A' ' 618' ' ' LEU . 0.2 OUTLIER -52.64 -34.32 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 62.52 110.896 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -62.77 -33.82 75.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 73.21 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.73 -52.93 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 72.42 110.899 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.1 p -58.06 -31.22 40.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 74.32 111.173 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 89.5 m -79.81 -29.72 40.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 64.43 111.129 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 52.9 p -71.52 -33.5 69.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 60.34 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -51.1 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 71.32 110.915 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 675' ' ' LEU . 1.3 tt -69.63 -28.31 65.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 64.32 110.926 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.6 46.18 5.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 71.4 110.854 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -158.78 155.02 27.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.932 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 63.14 110.889 179.86 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.727 0.299 . . . . 64.24 111.114 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.513 ' HB3' HD22 ' A' ' 630' ' ' LEU . 10.9 m95 -93.13 155.61 17.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.219 -0.446 . . . . 64.11 110.927 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -125.75 160.47 29.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.889 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.482 HG23 ' CG2' ' B' ' 401' ' ' ILE . 7.2 p -129.3 126.55 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.177 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -138.72 97.11 3.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 65.32 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.82 175.77 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.928 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.9 t -136.07 -177.54 4.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.853 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -22.79 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 72.24 110.927 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.04 164.02 0.21 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 72.02 110.934 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -17.48 37.53 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 74.04 112.324 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.429 ' HG ' ' HB2' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -177.33 58.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 73.03 110.889 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -108.04 129.25 55.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.901 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.482 ' CG2' HG23 ' B' ' 392' ' ' VAL . 1.0 OUTLIER -123.6 116.4 48.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 74.53 111.171 179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.84 98.34 11.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 71.21 110.895 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.585 HD23 ' CD1' ' A' ' 654' ' ' ILE . 1.6 mm? -97.95 135.12 40.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.959 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.415 HG22 ' HG2' ' A' ' 651' ' ' GLU . 12.1 p -142.49 145.56 33.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 74.31 111.108 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.934 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.857 0.361 . . . . 73.14 110.823 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.38 -74.6 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 65.13 110.82 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 51.74 35.47 15.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 64.23 110.895 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -179.45 35.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 73.35 110.953 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.35 -40.48 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 70.02 110.886 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -89.41 -35.25 16.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.486 . . . . 41.51 110.834 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -99.46 18.58 17.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.268 -0.423 . . . . 64.24 110.909 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 7.9 p -51.74 116.76 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 61.24 110.875 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -97.59 153.48 38.3 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.548 0.689 . . . . 73.41 110.93 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.09 47.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.26 . . . . 55.32 112.391 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.413 ' HB2' HD23 ' A' ' 664' ' ' LEU . 41.5 mmm -127.83 107.27 9.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 65.15 110.896 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.6 169.85 10.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.19 -0.459 . . . . 70.1 110.875 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 21.9 p90 -67.47 -26.74 66.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.88 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.9 -61.88 2.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 55.13 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -63.45 -23.92 67.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 63.22 110.895 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.404 ' HE3' HD23 ' A' ' 664' ' ' LEU . 5.8 mmtt -74.36 -49.22 23.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 53.2 110.867 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -32.05 18.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.858 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -74.93 -48.03 26.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.955 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.636 HD23 ' N ' ' A' ' 619' ' ' SER . 0.0 OUTLIER -57.35 -39.76 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.2 110.98 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.636 ' N ' HD23 ' A' ' 618' ' ' LEU . 0.5 OUTLIER -59.14 -45.3 91.31 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.226 -0.443 . . . . 41.04 110.882 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 4.9 tp -72.55 -50.77 23.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 64.31 110.918 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.62 -52.11 50.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 62.24 110.878 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.85 HD13 HG11 ' A' ' 633' ' ' VAL . 63.2 mt -67.41 -33.38 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 72.42 111.156 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . 0.674 ' ND2' HG11 ' B' ' 392' ' ' VAL . 2.0 t-20 -64.61 -36.3 83.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.931 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -73.14 -28.64 62.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.895 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.655 HD13 ' CD ' ' A' ' 629' ' ' LYS . 24.4 mt -61.97 159.96 32.98 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 74.22 110.947 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 164.61 33.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.664 2.243 . . . . 44.34 112.414 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.97 -40.56 43.27 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.72 -0.752 . . . . 62.52 112.488 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.5 -39.02 32.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.947 0.403 . . . . 73.51 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.675 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.4 mmpt? -71.36 -38.08 71.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 74.42 110.968 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.85 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -60.01 -65.43 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 72.32 110.878 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.86 -35.42 3.27 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.76 -0.733 . . . . 75.55 112.459 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -73.75 -50.78 19.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.907 0.384 . . . . 72.32 110.914 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.85 HG11 HD13 ' A' ' 622' ' ' ILE . 40.1 t -68.49 -58.76 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 75.53 111.133 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.85 HG11 HD23 ' A' ' 630' ' ' LEU . 15.9 m -46.97 -32.1 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 54.31 111.079 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 14.1 t-160 -67.46 -43.05 82.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.21 110.829 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 4.0 mt -53.84 -50.71 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 75.12 111.116 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.666 HG21 HD12 ' A' ' 654' ' ' ILE . 4.0 mp -50.95 -66.65 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 44.01 111.135 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.6 ' HB3' HD11 ' A' ' 652' ' ' ILE . 16.9 pt20 -52.33 -26.44 12.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 55.11 110.837 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -32.4 74.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 63.24 110.884 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -122.28 17.12 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.852 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 68.3 tt0 -98.27 115.21 65.81 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.585 0.707 . . . . 75.11 110.878 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -34.85 13.71 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.699 2.266 . . . . 54.52 112.319 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 33.1 t -70.93 -30.11 66.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 65.32 110.866 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.49 61.43 2.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 62.55 110.902 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -94.51 36.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 62.2 110.93 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -106.53 143.17 35.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 75.41 110.844 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 3.5 p -88.27 8.03 29.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 42.54 110.866 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -105.02 97.79 14.0 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.587 0.708 . . . . 61.33 110.855 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -10.19 27.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 73.42 112.335 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.48 -0.96 28.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.825 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.685 ' HA ' HG22 ' B' ' 404' ' ' THR . 2.2 tm-20 -145.03 115.84 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 70.52 110.895 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.6 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.2 OUTLIER -129.93 141.63 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 73.23 111.118 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -121.81 97.65 5.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.923 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.666 HD12 HG21 ' A' ' 637' ' ' ILE . 11.0 mm -85.57 110.21 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 70.32 111.184 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -128.06 103.29 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.857 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.618 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.6 m-30 -61.58 -27.42 68.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 62.31 110.83 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -51.38 -29.98 17.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 73.23 110.882 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -117.35 -26.58 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 71.31 111.095 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.51 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -57.25 154.06 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 73.22 110.921 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.51 ' H ' HD13 ' A' ' 659' ' ' LEU . 5.7 mtmt -88.41 161.02 43.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.609 0.719 . . . . 75.12 110.89 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -35.22 13.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.698 2.265 . . . . 75.33 112.304 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.19 -49.14 72.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 74.34 110.804 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' ' 637' ' ' ILE . 25.6 m -68.92 -47.95 64.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 64.21 111.139 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 656' ' ' PHE . 3.5 mp -50.76 -51.05 53.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 73.12 110.89 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -34.94 79.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.28 -0.418 . . . . 71.51 110.837 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -41.94 70.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 65.33 110.891 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.623 ' CD1' HD11 ' A' ' 637' ' ' ILE . 5.8 mt -64.07 -49.68 71.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 65.23 110.907 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.448 ' HA ' HG12 ' A' ' 671' ' ' VAL . 15.1 tt0 -53.73 -30.94 46.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.809 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -30.83 64.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 74.23 110.878 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -80.03 -36.15 36.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 74.11 110.905 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.522 HG22 HD13 ' A' ' 675' ' ' LEU . 5.0 p -78.18 -36.51 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 72.41 111.113 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 10.0 t -66.2 -32.62 74.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 71.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 3.7 t -73.6 -35.61 65.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.86 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 4.9 t -79.24 -50.32 11.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 61.31 110.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 671' ' ' VAL . 0.1 OUTLIER -71.96 -27.94 63.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 61.15 110.904 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 56.36 76.61 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 71.45 110.885 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.68 -72.9 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 64.12 110.877 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.33 110.958 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.823 0.344 . . . . 75.33 111.114 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.821 ' HB3' HD22 ' A' ' 630' ' ' LEU . 13.4 m95 -84.32 165.6 18.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 64.13 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -143.68 171.16 14.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 72.4 110.867 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.674 HG11 ' ND2' ' A' ' 623' ' ' ASN . 10.9 p -134.22 148.56 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.168 -0.469 . . . . 64.15 111.15 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -164.23 94.04 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 72.31 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.31 175.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 71.33 110.864 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.2 t -135.16 -169.53 2.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 51.41 110.83 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -66.83 -27.65 67.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.966 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -46.94 163.63 0.24 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.72 . . . . 62.24 110.883 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.77 -20.55 34.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 73.04 112.396 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.618 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -172.57 58.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.23 110.912 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 31.1 ttmt -110.48 120.68 43.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 73.34 110.928 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.554 HG22 HG23 ' B' ' 392' ' ' VAL . 0.6 OUTLIER -108.11 116.12 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 70.22 111.102 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.21 99.45 11.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 73.54 110.855 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.513 HD23 HG13 ' A' ' 654' ' ' ILE . 2.2 mm? -99.17 143.24 29.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 64.43 110.908 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.685 HG22 ' HA ' ' A' ' 651' ' ' GLU . 81.8 p -145.94 142.16 28.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 73.23 111.145 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.438 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 3.7 mtt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 73.31 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.853 0.358 . . . . 74.1 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.93 -72.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.856 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 58.06 52.03 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 64.14 110.925 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -174.18 -41.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 65.14 110.948 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 26.9 pt-20 -62.0 -36.33 81.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 73.42 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -81.91 -35.06 29.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -93.87 18.68 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 10.7 p -51.75 121.41 6.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 63.35 110.91 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 8.4 mmtp -92.07 153.54 43.29 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.59 0.709 . . . . 71.35 110.872 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . 0.405 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.8 Cg_endo -69.7 160.91 47.97 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 75.33 112.33 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.713 ' HB2' HD23 ' A' ' 664' ' ' LEU . 4.8 mmm -125.9 130.88 52.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.871 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.67 162.31 14.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 60.52 110.933 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -57.94 -26.04 61.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 75.44 110.998 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -57.94 -62.25 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.048 -0.524 . . . . 75.33 110.929 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.28 -33.65 76.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 64.23 110.903 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.436 ' HD3' HD21 ' A' ' 664' ' ' LEU . 18.7 mtmt -63.76 -50.25 69.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 74.23 110.858 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.778 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -53.15 -29.19 29.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.899 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -71.96 -33.97 68.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.935 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.621 HD21 ' HB2' ' A' ' 668' ' ' GLU . 3.4 mp -68.32 -46.56 69.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 63.13 110.947 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.8 t -55.61 -44.1 76.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.84 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.15 -57.8 3.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.958 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . 0.411 ' O ' HD23 ' A' ' 625' ' ' LEU . 43.1 t0 -50.13 -61.79 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.863 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . . . . . . . . . 67.2 mt -50.66 -38.32 16.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.131 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -65.98 -34.24 77.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 63.51 110.881 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 36.3 tttt -70.3 -29.23 65.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 64.14 110.911 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 626' ' ' PRO . 4.4 mm? -68.21 160.62 74.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.618 0.723 . . . . 65.0 110.949 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . 0.427 ' HD2' HD12 ' A' ' 625' ' ' LEU . 53.2 Cg_endo -69.79 164.48 34.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.696 2.264 . . . . 44.11 112.326 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.75 -49.06 48.88 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.712 . . . . 34.14 112.479 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -49.59 -39.7 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 63.13 110.88 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.497 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -68.76 -42.05 78.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 63.4 110.915 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.765 HD21 ' HG ' ' B' ' 403' ' ' LEU . 2.4 tt -66.86 -39.87 87.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 64.11 110.926 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -52.59 -40.18 54.83 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 61.43 112.504 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -71.27 -36.66 71.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 73.53 110.929 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 629' ' ' LYS . 59.8 t -62.83 -57.43 12.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 72.31 111.147 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.715 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 3.2 p -50.97 -34.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.147 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -62.8 -33.7 75.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.42 110.91 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 3.3 mt -64.87 -53.84 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 52.33 111.162 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.536 ' H ' HD12 ' A' ' 637' ' ' ILE . 4.4 mp -55.18 -51.55 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 61.4 111.151 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.512 ' NE2' HG22 ' A' ' 634' ' ' VAL . 3.3 pt20 -66.99 -13.94 62.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 70.35 110.947 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -88.92 -48.46 7.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.84 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.45 -30.05 42.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 72.32 110.823 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -95.47 106.23 25.33 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 63.02 110.928 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -42.84 2.99 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 61.35 112.373 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 29.0 t -54.71 -33.98 61.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 65.11 110.913 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.473 HD21 ' CB ' ' A' ' 653' ' ' GLU . 0.0 OUTLIER -90.8 45.94 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 72.21 110.953 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -86.03 -77.26 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 71.21 110.899 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.89 170.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 71.04 110.901 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.78 7.47 46.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.831 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -121.86 90.76 48.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.629 0.728 . . . . 74.24 110.926 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -8.45 23.62 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.707 2.271 . . . . 60.44 112.324 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.53 -3.23 39.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 74.13 110.911 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.407 ' HA ' HG22 ' B' ' 404' ' ' THR . 32.4 tt0 -138.66 134.44 33.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.579 HG21 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.77 144.13 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 42.21 111.091 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.473 ' CB ' HD21 ' A' ' 644' ' ' LEU . 6.6 tt0 -115.0 99.04 7.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.45 110.916 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.828 HD11 HD22 ' B' ' 403' ' ' LEU . 9.0 mt -95.34 108.49 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 52.53 111.146 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -125.94 96.99 4.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 64.41 110.888 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.757 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.7 m-30 -56.16 -22.98 32.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 63.52 110.839 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -56.53 -32.54 65.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 72.32 110.85 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 t -119.05 -24.7 6.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 65.23 111.191 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.07 158.84 2.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.2 110.958 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -88.94 162.58 37.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.522 0.677 . . . . 73.13 110.963 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . 0.405 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.7 Cg_endo -69.74 -31.31 20.89 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.242 . . . . 54.23 112.332 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.4 t -60.04 -49.2 78.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 71.15 110.792 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 14.2 m -71.19 -35.7 71.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.35 111.09 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.713 HD23 ' HB2' ' A' ' 610' ' ' MET . 2.0 mp -56.84 -60.66 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.55 110.895 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 -58.47 -34.21 70.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 72.01 110.911 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -50.61 -44.94 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 73.13 110.879 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.509 ' CD1' HD11 ' A' ' 637' ' ' ILE . 3.4 mt -66.63 -41.78 87.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 73.33 110.968 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.621 ' HB2' HD21 ' A' ' 618' ' ' LEU . 66.8 tt0 -64.96 -32.84 74.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.912 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.38 -28.77 68.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 73.05 110.84 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -80.75 -41.5 23.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 75.23 110.89 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.7 p -74.41 -35.25 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 74.15 111.102 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 5.5 t -68.69 -31.75 71.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.24 111.145 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.2 t -70.51 -36.11 73.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.889 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -39.03 21.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.93 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.89 14.57 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 61.13 110.94 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.84 103.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 75.4 110.906 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 3.2 tttp -157.56 -64.0 0.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.412 . . . . 74.52 110.962 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 4.4 mttp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 62.44 110.956 179.794 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.655 0.264 . . . . 75.22 111.17 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.715 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 6.1 m95 -70.18 156.45 39.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 72.41 110.909 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -135.05 173.0 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 72.3 110.86 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.704 HG21 HD11 ' A' ' 630' ' ' LEU . 97.3 t -150.71 141.33 16.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 65.33 111.059 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -135.89 110.67 8.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 73.13 110.896 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.6 167.29 18.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 72.33 110.874 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 5.7 t -133.79 -174.72 3.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 61.13 110.873 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -59.9 -25.79 65.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 63.44 110.912 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.442 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.3 m120 -46.0 163.21 0.23 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.674 0.75 . . . . 60.1 110.912 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -18.33 36.8 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.724 2.283 . . . . 50.11 112.314 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.778 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -179.43 59.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 62.31 110.915 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.442 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 23.0 ttmt -112.17 113.15 25.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 72.1 110.818 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.412 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -112.5 115.19 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 73.24 111.148 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.22 102.63 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 72.43 110.907 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.828 HD22 HD11 ' A' ' 654' ' ' ILE . 4.4 mp -85.65 136.77 33.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.24 110.932 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.407 HG22 ' HA ' ' A' ' 651' ' ' GLU . 21.8 p -147.17 144.8 29.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 73.3 111.124 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.426 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 27.5 mtp85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.14 110.838 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.893 0.378 . . . . 71.22 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.83 -70.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.093 -0.503 . . . . 61.44 110.836 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 62.24 40.73 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.864 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.73 -55.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 75.51 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -89.32 -35.73 15.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 65.11 110.867 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.68 -33.0 71.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 73.14 110.897 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 19.08 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.468 . . . . 72.22 110.895 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 1.2 m -51.61 106.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 70.14 110.908 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.28 152.65 38.9 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 55.03 110.842 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 55.0 Cg_endo -69.67 147.94 64.56 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 122.735 2.29 . . . . 75.2 112.415 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 22.9 mmm -112.32 128.98 56.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.894 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 5.2 m -97.41 178.89 5.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 65.11 110.833 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -70.46 -26.07 63.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 72.11 110.909 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.11 -55.97 28.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.077 -0.511 . . . . 75.32 110.867 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -26.82 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.878 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -70.83 -59.63 2.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 65.22 110.897 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.617 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.1 OUTLIER -47.56 -33.74 6.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 63.11 110.945 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -71.93 -44.11 64.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 65.04 110.909 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -67.62 -45.81 74.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 64.14 110.963 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.647 ' N ' HD23 ' A' ' 618' ' ' LEU . 1.5 p -50.68 -41.72 56.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 73.5 110.854 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 12.2 tp -79.29 -47.65 15.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 72.34 110.922 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . 0.475 ' O ' HD13 ' A' ' 625' ' ' LEU . 14.8 t0 -51.4 -53.51 35.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 75.42 110.93 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.799 HG22 HD12 ' A' ' 630' ' ' LEU . 83.5 mt -64.42 -35.58 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.03 111.122 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -63.58 -41.68 98.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 75.55 110.871 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -71.83 -28.49 63.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 70.13 110.87 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 1.108 HD11 HD23 ' A' ' 675' ' ' LEU . 3.2 mp -67.49 162.34 57.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.612 0.72 . . . . 64.21 110.891 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 163.08 39.58 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.782 2.321 . . . . 75.15 112.371 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . 0.577 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.39 -43.24 51.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.738 . . . . 65.33 112.547 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.31 -37.92 25.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 75.51 110.844 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.6 OUTLIER -71.44 -44.24 65.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 64.53 110.895 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.801 HD23 HG11 ' A' ' 634' ' ' VAL . 0.2 OUTLIER -65.49 -61.08 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.965 179.86 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -40.55 -38.09 1.4 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.773 -0.727 . . . . 64.32 112.512 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -50.11 25.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 72.32 110.91 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.598 HG11 HD13 ' A' ' 622' ' ' ILE . 58.2 t -66.85 -55.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 64.45 111.15 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.801 HG11 HD23 ' A' ' 630' ' ' LEU . 9.3 m -48.51 -30.43 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 65.33 111.037 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -70.99 -39.3 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.778 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.473 HD11 ' CD2' ' A' ' 670' ' ' TYR . 4.2 mt -56.08 -36.36 44.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 64.34 111.134 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.702 HD11 HD13 ' A' ' 667' ' ' LEU . 3.9 mp -66.54 -63.91 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.127 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.785 ' HB3' HD11 ' A' ' 652' ' ' ILE . 12.8 pt20 -51.41 -24.48 4.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 70.21 110.873 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.4 p -69.9 -39.08 76.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 65.25 110.812 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.78 17.67 16.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.95 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.618 ' HG2' HD23 ' A' ' 644' ' ' LEU . 1.1 tt0 -110.43 99.13 39.45 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 121.687 0.756 . . . . 73.31 110.888 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -31.94 19.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.274 . . . . 42.24 112.261 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.17 -30.08 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 64.3 110.887 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.618 HD23 ' HG2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -49.74 103.47 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 51.52 110.878 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -117.23 34.94 4.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.902 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.65 118.81 24.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 62.51 110.927 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 29.3 t -57.85 -32.68 67.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 65.25 110.834 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -113.73 136.57 22.04 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.655 0.741 . . . . 53.12 110.857 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -16.99 37.88 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.652 2.235 . . . . 55.24 112.337 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -5.5 30.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 72.34 110.825 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -128.33 129.77 46.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 63.24 110.907 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.785 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.3 OUTLIER -142.11 144.46 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 64.21 111.11 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -123.15 99.72 6.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 70.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 1.127 HD13 HD23 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -90.86 118.25 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 71.15 111.116 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.03 98.37 4.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 53.32 110.915 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.715 ' CE2' HD12 ' B' ' 399' ' ' LEU . 11.2 m-30 -58.19 -27.77 64.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 75.22 110.902 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -51.29 -30.75 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 75.11 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 9.1 t -118.93 -25.26 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 72.3 111.199 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.408 HD23 ' HG ' ' A' ' 664' ' ' LEU . 1.7 tp -55.95 154.14 7.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 63.53 110.894 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -88.64 160.15 45.05 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 72.43 110.84 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.2 Cg_endo -69.74 -36.9 10.0 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 64.41 112.311 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 30.3 t -51.95 -49.65 62.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 70.1 110.852 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.48 HG21 ' HA ' ' A' ' 637' ' ' ILE . 97.4 m -74.92 -47.53 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 71.22 111.165 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.639 HD21 ' CG ' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -51.64 -57.25 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 62.42 110.901 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -58.04 -35.93 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.14 110.9 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -33.44 66.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.931 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.702 HD13 HD11 ' A' ' 637' ' ' ILE . 4.8 mt -69.28 -53.75 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.505 . . . . 52.41 110.902 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 671' ' ' VAL . 0.9 OUTLIER -51.94 -30.37 24.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 71.4 110.903 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.07 -35.7 66.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 72.2 110.835 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . 0.473 ' CD2' HD11 ' A' ' 636' ' ' ILE . 1.4 m-85 -79.26 -50.03 11.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 64.12 110.887 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 668' ' ' GLU . 9.9 p -52.62 -32.97 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 72.33 111.12 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.9 m -72.47 -44.83 61.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.167 -0.47 . . . . 64.02 111.203 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.28 -33.17 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 72.33 110.857 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 7.8 m -82.94 -43.59 16.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 73.55 110.828 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 1.108 HD23 HD11 ' A' ' 625' ' ' LEU . 3.3 tm? -67.86 -28.82 67.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 71.25 110.908 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -124.26 -75.67 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 75.24 110.923 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 -49.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.52 110.889 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.5 mptt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.867 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . 0.577 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.765 0.317 . . . . 64.42 111.093 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.515 ' HB3' HD22 ' A' ' 630' ' ' LEU . 12.4 m95 -92.3 155.37 17.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 75.4 110.9 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 5.6 ptp180 -127.41 -179.96 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.33 110.849 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' B' ' 401' ' ' ILE . 7.1 p -146.96 130.82 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.145 -0.48 . . . . 65.54 111.055 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -137.4 110.94 8.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 71.24 110.856 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -68.6 167.71 14.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 70.32 110.804 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.6 t -135.6 -171.72 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 61.31 110.851 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -30.33 69.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 73.11 110.866 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -47.49 164.27 0.25 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.628 0.728 . . . . 73.42 110.881 -179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -15.8 37.48 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.267 . . . . 73.23 112.327 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.715 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -179.34 58.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 75.2 110.831 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 30.0 ttmt -110.64 102.12 10.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 73.41 110.889 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.837 HD12 HD21 ' B' ' 403' ' ' LEU . 1.1 pt -97.08 114.4 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.02 111.079 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.72 107.24 15.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 73.42 110.866 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 1.127 HD23 HD13 ' A' ' 654' ' ' ILE . 1.0 OUTLIER -97.25 138.71 34.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 72.35 110.932 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 29.0 p -146.97 143.13 28.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 51.13 111.143 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.403 ' HG3' ' CZ2' ' B' ' 390' ' ' TRP . 31.6 mtp85 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.843 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.778 0.323 . . . . 70.55 110.964 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.04 -73.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.847 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 53.85 44.77 29.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.44 110.881 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.98 -71.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 55.43 110.876 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -35.61 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 63.34 110.882 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.54 -25.54 17.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 64.31 110.906 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -29.76 70.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 61.33 110.845 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.8 p -49.23 137.59 13.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.903 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 32.2 mmtt -98.94 153.15 37.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 63.03 110.897 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.4 Cg_endo -69.76 161.29 46.51 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.624 2.216 . . . . 63.55 112.352 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.575 ' HB2' HD22 ' A' ' 664' ' ' LEU . 7.2 mmm -126.7 107.13 9.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.896 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 164.49 7.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 53.32 110.818 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 14.8 p90 -51.36 -35.02 36.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 72.42 110.994 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -58.81 -52.63 64.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 75.31 110.917 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -62.07 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.497 . . . . 72.45 110.887 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.45 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 0.4 OUTLIER -56.73 -39.41 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 65.53 110.928 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.796 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.88 -39.2 58.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.22 110.856 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -67.66 -30.14 69.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 72.3 110.9 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.773 HD21 ' HB2' ' A' ' 668' ' ' GLU . 73.7 mt -63.74 -50.23 69.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 74.42 110.914 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 62.8 p -53.16 -44.96 68.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 62.35 110.817 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.64 -60.68 2.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 51.32 110.879 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -48.67 -61.35 2.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 74.25 110.832 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.865 HG22 HD12 ' A' ' 630' ' ' LEU . 99.0 mt -49.76 -37.2 11.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.22 111.088 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -68.18 -35.16 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 71.35 110.862 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -69.3 -29.28 67.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 73.22 110.877 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 626' ' ' PRO . 4.6 mm? -75.04 160.64 80.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.625 0.726 . . . . 54.44 110.87 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . 0.418 ' HD2' HD12 ' A' ' 625' ' ' LEU . 54.0 Cg_endo -69.73 164.21 35.37 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.269 . . . . 71.04 112.326 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.37 -41.88 48.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 53.44 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -50.03 -38.48 37.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.888 0.375 . . . . 74.35 110.818 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.445 ' O ' HG23 ' A' ' 633' ' ' VAL . 0.0 OUTLIER -70.77 -50.0 40.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 64.12 110.863 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.865 HD12 HG22 ' A' ' 622' ' ' ILE . 0.4 OUTLIER -58.29 -46.47 86.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 74.3 110.849 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -49.84 -42.26 37.46 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.781 -0.723 . . . . 71.14 112.425 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -69.12 -35.11 76.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.929 0.395 . . . . 64.33 110.925 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.452 ' O ' HD12 ' A' ' 637' ' ' ILE . 73.9 t -65.17 -58.26 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 71.11 111.107 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.695 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 2.9 p -50.17 -29.94 6.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 74.31 111.142 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -66.73 -38.66 87.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.835 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.84 -56.73 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 72.03 111.138 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.758 HD11 HD13 ' A' ' 667' ' ' LEU . 4.3 mp -50.4 -57.85 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 64.32 111.127 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.645 HE21 HG22 ' A' ' 634' ' ' VAL . 5.0 pt20 -57.81 -20.37 35.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 74.03 110.8 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.97 -31.51 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.42 . . . . 75.43 110.88 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -109.26 16.45 22.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 74.45 110.858 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.444 ' HG2' HD23 ' A' ' 644' ' ' LEU . 3.3 tt0 -111.47 103.31 54.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.706 0.765 . . . . 74.22 110.896 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -27.69 26.54 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.676 2.251 . . . . 72.12 112.343 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.46 -27.05 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 72.52 110.865 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.791 HD21 HG12 ' A' ' 652' ' ' ILE . 0.2 OUTLIER -48.33 104.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.901 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -135.0 34.69 3.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.319 -0.4 . . . . 71.43 110.885 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -68.4 165.54 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 65.23 110.804 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 6.8 m -91.85 -33.53 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 40.41 110.845 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -114.36 136.64 22.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.71 . . . . 63.43 110.865 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.04 20.04 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.722 2.281 . . . . 74.51 112.355 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . 0.433 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.83 21.3 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 75.01 110.896 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -148.57 136.73 21.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.131 -0.486 . . . . 74.24 110.906 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.791 HG12 HD21 ' A' ' 644' ' ' LEU . 0.0 OUTLIER -143.26 143.92 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 61.52 111.177 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -116.98 97.34 5.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.915 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.852 HD11 HD22 ' B' ' 403' ' ' LEU . 24.5 mt -89.17 108.39 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 75.54 111.122 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -121.72 94.13 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 64.15 110.85 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.537 ' CE2' HD12 ' B' ' 399' ' ' LEU . 22.4 m-85 -57.98 -26.36 62.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 73.14 110.853 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -52.6 -31.44 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.803 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 655' ' ' ASP . 2.9 t -117.96 -25.35 6.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 70.42 111.113 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.515 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -55.76 160.38 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.318 -0.401 . . . . 74.43 110.916 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.515 ' H ' HD13 ' A' ' 659' ' ' LEU . 0.0 OUTLIER -88.01 160.75 45.71 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.573 0.702 . . . . 73.0 110.906 179.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . 0.407 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.4 Cg_endo -69.68 -37.1 9.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 73.03 112.447 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.58 -47.56 73.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 62.4 110.829 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.417 ' HB ' HD12 ' A' ' 659' ' ' LEU . 5.0 m -70.8 -39.04 73.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 61.11 111.133 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.575 HD22 ' HB2' ' A' ' 610' ' ' MET . 0.2 OUTLIER -54.56 -60.66 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 43.1 110.911 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -32.97 72.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 75.04 110.886 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.48 -36.37 44.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 75.05 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.758 HD13 HD11 ' A' ' 637' ' ' ILE . 1.4 mt -74.73 -45.36 44.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 64.2 110.903 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.773 ' HB2' HD21 ' A' ' 618' ' ' LEU . 27.0 tt0 -58.35 -29.65 66.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 73.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.91 -34.9 59.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 65.42 110.844 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -77.92 -44.92 25.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 51.35 110.928 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . . . . . . . . . 8.1 p -59.11 -33.27 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 50.11 111.16 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.2 m -74.83 -34.57 62.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 71.15 111.189 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 48.4 t -64.42 -35.69 81.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 44.23 110.854 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.68 -42.48 11.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.891 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 675' ' ' LEU . 3.3 tm? -66.81 -28.31 68.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.932 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 7.8 mtm-85 55.13 64.41 1.8 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 72.2 110.844 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . 0.463 ' HB2' HD12 ' A' ' 675' ' ' LEU . 0.9 OUTLIER -83.54 -67.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 75.33 110.867 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.869 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.8 0.333 . . . . 62.14 111.108 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.695 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 5.7 m95 -72.67 154.63 40.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.248 -0.433 . . . . 74.03 110.944 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -131.41 173.6 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.315 -0.402 . . . . 61.32 110.866 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.528 HG13 HD12 ' B' ' 403' ' ' LEU . 91.4 t -150.64 144.36 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 74.05 111.144 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -137.66 108.9 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 72.13 110.862 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.4 168.71 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 70.14 110.829 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 2.6 t -135.1 -167.67 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 62.33 110.854 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -70.31 -28.21 64.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.956 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -47.09 164.2 0.23 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.576 0.703 . . . . 60.41 110.878 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -18.52 36.89 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.648 2.232 . . . . 43.21 112.335 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.796 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -175.17 59.45 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 74.01 110.91 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 6.0 ttmt -113.01 113.68 25.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 73.44 110.9 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.527 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -114.4 114.04 45.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 72.32 111.194 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.0 103.92 13.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 70.22 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.852 HD22 HD11 ' A' ' 654' ' ' ILE . 4.7 mp -87.11 136.77 32.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 62.12 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 17.1 p -146.63 145.65 30.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 72.41 111.174 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.433 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 73.55 110.928 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.938 0.399 . . . . 61.2 110.819 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.5 m 72.08 -69.34 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 71.44 110.863 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 51.98 43.07 30.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 73.15 110.885 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -160.31 -56.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 74.32 110.844 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -51.9 -36.28 48.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 73.31 110.872 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -35.04 76.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 73.53 110.868 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 15.0 mttp -65.64 -30.55 71.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 74.14 110.923 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 21.6 m -68.63 109.16 3.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.438 . . . . 72.41 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 155.19 37.65 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.585 0.707 . . . . 70.11 110.884 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 161.22 46.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 74.22 112.336 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.688 ' HB2' HD23 ' A' ' 664' ' ' LEU . 72.7 mmm -133.22 117.3 17.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 70.22 110.906 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.87 175.12 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.287 -0.415 . . . . 64.42 110.874 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.8 p90 -52.76 -28.81 23.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 64.24 110.938 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.6 -60.72 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 64.42 110.856 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -69.61 -25.71 64.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 65.03 110.987 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.764 ' HA ' HD23 ' A' ' 618' ' ' LEU . 2.0 mtpt -73.69 -57.88 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 71.32 110.887 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.542 ' CB ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -50.62 -28.8 9.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 72.45 110.869 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -72.75 -40.91 65.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.53 110.874 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.764 HD23 ' HA ' ' A' ' 615' ' ' LYS . 0.5 OUTLIER -68.08 -31.7 71.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.945 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.485 ' OG ' HD11 ' B' ' 399' ' ' LEU . 50.5 p -72.05 -37.39 69.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 62.45 110.832 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.42 -50.34 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.462 . . . . 70.42 110.954 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . 0.73 ' HB3' HG21 ' A' ' 671' ' ' VAL . 0.5 OUTLIER -50.47 -60.57 2.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 73.21 110.839 179.857 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.797 HG22 HD12 ' A' ' 630' ' ' LEU . 42.3 mt -54.33 -36.96 35.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.15 111.08 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -63.08 -41.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 52.02 110.863 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 17.3 tttp -72.1 -28.81 63.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 71.42 110.833 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.859 HD11 HD23 ' A' ' 675' ' ' LEU . 3.2 mp -60.93 161.53 15.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 72.01 110.912 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.1 35.81 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.744 2.296 . . . . 72.34 112.375 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.21 -54.05 25.06 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 63.24 112.534 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -49.69 -38.44 32.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.4 . . . . 71.54 110.893 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -57.76 6.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.857 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.869 HD11 HG21 ' B' ' 392' ' ' VAL . 0.6 OUTLIER -55.48 -40.43 71.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.291 -0.413 . . . . 72.44 110.849 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.98 -38.96 47.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 61.32 112.417 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.19 -39.53 78.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 74.43 110.803 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.728 HG11 HD13 ' A' ' 622' ' ' ILE . 58.7 t -62.28 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.31 111.153 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.749 ' HB ' HD23 ' B' ' 403' ' ' LEU . 3.4 p -51.35 -31.19 11.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 71.24 111.138 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -65.98 -35.06 79.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 71.52 110.791 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.47 -58.97 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 70.35 111.089 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.735 HD11 ' CD1' ' A' ' 667' ' ' LEU . 3.6 mp -59.2 -26.23 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 71.44 111.157 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.575 ' HA ' HD13 ' A' ' 644' ' ' LEU . 6.6 mt-30 -63.45 -39.32 94.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.934 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -24.87 16.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.864 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -78.53 -30.85 47.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.436 ' HA ' ' HD2' ' A' ' 642' ' ' PRO . 25.2 tt0 -97.64 105.5 26.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.728 . . . . 73.24 110.927 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 54.5 Cg_endo -69.69 -39.03 7.13 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.688 2.259 . . . . 72.23 112.389 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.26 -26.75 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 54.01 110.896 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.586 ' O ' HD23 ' A' ' 644' ' ' LEU . 6.8 tt -47.42 106.52 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 72.0 110.975 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -128.73 34.62 4.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 74.53 110.902 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -63.0 131.76 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 63.42 110.972 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 42.5 p -57.81 -33.81 68.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 75.53 110.852 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -117.93 137.55 24.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.628 0.728 . . . . 45.44 110.896 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -6.02 17.65 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.669 2.246 . . . . 75.54 112.359 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . 0.445 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -90.48 21.41 3.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 72.13 110.806 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.408 ' HA ' HG22 ' B' ' 404' ' ' THR . 1.7 tt0 -148.05 140.31 24.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.425 . . . . 63.44 110.863 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.534 HG12 HD12 ' A' ' 644' ' ' LEU . 0.0 OUTLIER -143.51 144.28 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 50.34 111.142 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -114.97 99.04 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 71.03 110.907 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.819 HD11 HD22 ' B' ' 403' ' ' LEU . 17.5 mt -97.45 108.35 21.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 43.21 111.125 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . 0.426 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -119.2 101.15 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 63.21 110.899 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.703 ' CE2' HD12 ' B' ' 399' ' ' LEU . 13.4 m-30 -61.32 -17.65 54.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 62.31 110.827 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -64.51 -30.83 71.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 74.41 110.878 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 655' ' ' ASP . 15.3 t -116.97 -25.12 7.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 74.02 111.088 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.439 ' HB3' HD13 ' A' ' 664' ' ' LEU . 0.1 OUTLIER -55.56 160.17 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 62.21 110.904 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.33 162.3 40.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.605 0.717 . . . . 73.41 110.856 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -28.32 25.04 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.641 2.227 . . . . 62.12 112.33 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -55.08 20.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 50.43 110.871 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 28.2 m -61.5 -44.17 97.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 72.51 111.145 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.688 HD23 ' HB2' ' A' ' 610' ' ' MET . 1.4 mp -51.29 -60.55 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 52.25 110.896 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -60.48 -34.06 73.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.879 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -38.77 48.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.848 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.735 ' CD1' HD11 ' A' ' 637' ' ' ILE . 1.6 mt -74.97 -39.37 61.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 71.51 110.912 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.415 ' HA ' HG12 ' A' ' 671' ' ' VAL . 6.7 tm-20 -68.76 -22.74 64.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.14 110.907 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -78.39 -34.91 47.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 64.01 110.817 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -76.92 -36.55 56.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.896 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.754 HG23 ' CD2' ' A' ' 625' ' ' LEU . 9.1 p -71.12 -32.77 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.23 111.135 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.6 m -73.04 -32.09 64.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 52.22 111.125 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.5 t -75.98 -34.8 59.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 71.12 110.875 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 33.8 t -78.81 -50.94 10.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 63.52 110.927 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.859 HD23 HD11 ' A' ' 625' ' ' LEU . 0.2 OUTLIER -74.89 -27.9 60.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 62.04 110.879 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 63.57 53.55 2.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.855 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.45 133.38 12.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 73.52 110.933 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.867 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.795 0.331 . . . . 64.03 111.118 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.742 ' CH2' HG21 ' A' ' 634' ' ' VAL . 6.8 m95 -73.34 156.01 38.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.873 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -134.47 168.21 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 73.35 110.844 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.869 HG21 HD11 ' A' ' 630' ' ' LEU . 84.6 t -150.86 146.57 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 54.42 111.083 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -159.43 118.81 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 72.12 110.904 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.93 150.1 24.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 63.35 110.871 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 4.4 m -172.12 165.48 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 71.14 110.847 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.08 -77.08 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 65.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.428 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 0.6 OUTLIER -57.64 163.65 3.63 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.671 0.748 . . . . 63.51 110.822 -179.875 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -20.08 34.84 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.633 2.222 . . . . 65.54 112.321 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.703 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -172.82 57.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 74.43 110.868 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.428 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 16.2 ttmt -109.87 103.95 12.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 75.23 110.908 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.476 HD12 HD11 ' B' ' 403' ' ' LEU . 1.2 pt -94.1 121.32 44.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.32 -0.4 . . . . 70.13 111.177 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 29.1 mtm-85 -92.02 104.82 17.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 75.05 110.903 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.819 HD22 HD11 ' A' ' 654' ' ' ILE . 4.8 mp -87.61 134.8 33.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 71.52 110.948 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 651' ' ' GLU . 28.3 p -149.43 143.01 25.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.245 -0.434 . . . . 70.52 111.13 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 24.4 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 62.45 110.823 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.854 0.359 . . . . 72.44 110.857 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -73.71 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.113 -0.494 . . . . 73.34 110.881 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 52.05 36.12 17.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 74.21 110.8 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.33 -74.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 72.41 110.844 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 39.61 40.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 53.43 110.876 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.56 -35.12 13.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.084 -0.507 . . . . 65.45 110.869 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -65.74 -30.53 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 61.31 110.926 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 66.3 m -65.14 122.03 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.882 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -96.58 153.42 38.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.648 0.737 . . . . 62.33 110.837 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.41 46.03 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.74 2.293 . . . . 53.11 112.316 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.55 ' HB2' HD23 ' A' ' 664' ' ' LEU . 41.5 mmm -118.24 131.49 56.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 71.42 110.868 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.19 145.98 35.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 62.32 110.84 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -58.54 -30.53 67.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 64.23 110.871 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.69 -62.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 54.15 110.848 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.14 -43.86 92.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 74.54 110.856 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.593 ' HA ' HD23 ' A' ' 618' ' ' LEU . 25.4 mmmt -55.2 -46.66 75.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.86 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.623 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -52.14 -30.92 28.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 75.13 110.897 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 40.5 tp60 -68.47 -35.61 77.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 71.24 110.933 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' A' ' 615' ' ' LYS . 3.4 mm? -65.84 -44.84 84.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 64.44 110.902 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 4.5 m -51.88 -45.64 64.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 55.12 110.846 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 11.1 tp -78.45 -52.35 8.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 70.01 110.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -50.47 -61.13 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 52.34 110.926 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.812 HG22 HD12 ' A' ' 630' ' ' LEU . 49.7 mt -55.79 -35.6 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 71.32 111.114 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -65.9 -41.3 91.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.205 -0.452 . . . . 64.04 110.864 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -28.57 66.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.833 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 1.029 HD11 HD23 ' A' ' 675' ' ' LEU . 6.3 mp -71.18 162.02 74.96 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.641 0.734 . . . . 65.14 110.926 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 163.67 37.31 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.742 2.295 . . . . 65.32 112.388 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . 0.478 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.97 -38.97 47.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.748 -0.739 . . . . 42.05 112.517 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -49.79 -39.08 36.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 72.03 110.853 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.577 ' O ' HG23 ' A' ' 633' ' ' VAL . 2.4 mmpm? -71.28 -44.87 64.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.914 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.812 HD12 HG22 ' A' ' 622' ' ' ILE . 0.2 OUTLIER -62.94 -56.88 13.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.95 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -45.09 -34.83 4.44 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 63.55 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -74.74 -49.97 19.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 71.05 110.864 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 629' ' ' LYS . 21.7 t -68.02 -58.5 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 72.14 111.136 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.654 HG11 HD23 ' A' ' 630' ' ' LEU . 14.9 m -49.72 -31.41 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.162 -0.472 . . . . 74.45 111.116 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -67.72 -36.76 81.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.879 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 1.8 mt -60.82 -32.16 51.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 64.11 111.123 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 667' ' ' LEU . 3.3 mp -69.25 -47.03 76.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 71.55 111.095 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -72.21 -14.79 61.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 70.21 110.973 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.1 t -96.09 -35.1 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 62.32 110.878 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -88.21 -33.35 18.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 65.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.32 120.03 66.96 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 52.25 110.876 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -42.6 3.25 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.726 2.284 . . . . 70.32 112.294 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.32 -34.83 71.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 73.42 110.847 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.612 HD21 ' H ' ' A' ' 653' ' ' GLU . 0.1 OUTLIER -89.19 48.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 75.41 110.902 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -114.94 36.69 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 73.23 110.925 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -63.21 161.64 13.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 52.2 110.855 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -7.56 54.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.073 -0.512 . . . . 74.23 110.801 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -108.13 90.05 6.33 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.617 0.722 . . . . 75.22 110.92 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -10.48 28.67 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.661 2.24 . . . . 64.13 112.339 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -5.05 43.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.957 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -135.58 132.49 37.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 70.34 110.862 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -142.15 143.98 25.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 54.44 111.113 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.612 ' H ' HD21 ' A' ' 644' ' ' LEU . 0.1 OUTLIER -119.94 97.55 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 63.24 110.879 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.814 HD12 HD23 ' B' ' 403' ' ' LEU . 42.0 mt -90.61 108.99 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 75.24 111.16 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . 0.465 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -124.2 102.93 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 65.3 110.852 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.629 ' CE2' HD12 ' B' ' 399' ' ' LEU . 19.4 m-85 -62.27 -17.17 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.818 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -67.31 -34.09 76.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 74.54 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.465 HG22 ' HB2' ' A' ' 655' ' ' ASP . 11.8 t -108.64 -26.47 10.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 72.03 111.12 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.59 160.73 6.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 72.43 110.907 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.28 163.03 38.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.587 0.708 . . . . 61.02 110.923 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -27.67 26.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.68 2.253 . . . . 65.45 112.37 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -52.67 55.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.894 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 34.2 m -64.99 -44.66 88.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.095 -0.502 . . . . 72.03 111.17 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.55 HD23 ' HB2' ' A' ' 610' ' ' MET . 2.5 mp -46.21 -58.11 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.888 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 4.9 ttp85 -66.1 -43.63 86.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 64.03 110.856 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.93 -50.42 57.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.859 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.548 ' CD2' HD11 ' A' ' 637' ' ' ILE . 0.2 OUTLIER -50.89 -50.98 56.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.222 -0.444 . . . . 61.22 110.875 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.514 ' HA ' HG12 ' A' ' 671' ' ' VAL . 0.0 OUTLIER -61.29 -34.34 75.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.851 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.07 -33.11 62.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.807 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -80.96 -61.07 2.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 70.12 110.942 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 668' ' ' GLU . 3.9 p -51.67 -31.34 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 52.21 111.122 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . 0.428 ' HG1' ' HG2' ' A' ' 668' ' ' GLU . 76.9 m -73.76 -39.35 64.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.5 111.156 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 40.2 t -65.24 -33.46 76.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 53.13 110.859 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 52.5 m -86.23 -44.64 11.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 71.24 110.857 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 625' ' ' LEU . 3.0 tm? -66.73 -29.01 68.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.973 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.89 122.49 8.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 42.22 110.862 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 5.8 pttt -160.48 161.2 32.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 61.11 110.907 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 75.54 110.852 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . 0.478 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.792 0.33 . . . . 74.42 111.146 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -91.48 174.99 7.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.869 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -141.02 163.19 33.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 73.44 110.819 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' B' ' 403' ' ' LEU . 13.1 p -132.37 133.61 59.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 74.51 111.149 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -137.51 109.66 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.936 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 163.97 23.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 63.44 110.863 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 6.8 t -133.95 176.89 8.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.809 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -55.0 -26.83 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 63.4 110.983 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.422 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 4.2 m-20 -46.69 163.07 0.24 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.606 0.717 . . . . 64.23 110.904 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -17.96 37.21 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.756 2.304 . . . . 54.22 112.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.629 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.1 OUTLIER -177.79 61.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.929 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.422 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 13.3 ttmt -112.93 126.88 55.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 71.32 110.96 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.859 HD12 HD21 ' B' ' 403' ' ' LEU . 0.7 OUTLIER -120.21 107.96 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 74.22 111.086 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.1 99.15 8.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 61.14 110.823 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.859 HD21 HD12 ' B' ' 401' ' ' ILE . 1.7 mm? -90.99 136.19 33.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 43.11 110.93 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 20.3 p -144.85 144.73 31.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 73.32 111.154 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 29.2 mtp85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 64.31 110.837 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.864 0.364 . . . . 72.1 110.903 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.4 m -82.72 71.91 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 53.34 110.879 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -55.26 -37.92 67.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 73.24 110.839 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -123.91 -68.51 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.914 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 72.36 -68.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.931 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -35.25 59.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.858 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.62 -30.51 24.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 71.32 110.905 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 12.1 t -65.27 107.63 1.66 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.238 -0.437 . . . . 63.3 110.91 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.71 153.53 43.85 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 73.32 110.942 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 161.34 46.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.253 . . . . 75.31 112.329 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.788 ' HB2' HD23 ' A' ' 664' ' ' LEU . 2.2 mmm -119.98 111.1 17.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 72.15 110.884 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.92 154.03 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 64.5 110.896 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . 0.435 ' O ' ' HB3' ' A' ' 616' ' ' ARG . 42.6 p90 -49.92 -39.31 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 75.24 110.94 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.07 -59.37 5.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 73.11 110.832 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.6 -58.53 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 73.11 110.888 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 656' ' ' PHE . 14.2 ptpt -59.24 -33.91 71.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 75.03 110.885 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.636 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.4 OUTLIER -52.06 -37.03 52.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 74.14 110.943 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -35.94 72.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 71.15 110.951 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.429 HD21 ' HB2' ' A' ' 668' ' ' GLU . 88.9 mt -51.6 -43.19 62.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 61.42 110.927 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 9.5 t -65.97 -55.04 18.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 70.21 110.853 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.1 tp -56.9 -59.74 4.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 65.22 110.917 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . 0.723 ' HB3' HG21 ' A' ' 671' ' ' VAL . 0.7 OUTLIER -48.92 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 73.13 110.843 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.707 HD13 HG11 ' A' ' 633' ' ' VAL . 93.1 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 72.53 111.08 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -69.49 -38.62 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.89 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.93 -28.67 55.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.835 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.809 HD11 HG23 ' A' ' 671' ' ' VAL . 23.8 mt -61.06 159.62 26.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.604 0.716 . . . . 73.35 110.964 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 164.44 34.5 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.658 2.238 . . . . 60.52 112.342 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.19 -44.64 57.56 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.761 -0.733 . . . . 55.41 112.434 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -50.15 -38.95 41.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.849 0.357 . . . . 73.24 110.809 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.513 ' HG3' HD13 ' A' ' 625' ' ' LEU . 0.1 OUTLIER -70.61 -40.72 73.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 53.3 110.905 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.937 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -58.44 -63.07 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 75.31 110.968 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.56 -35.99 4.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 62.42 112.498 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.83 -53.54 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 70.14 110.847 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.707 HG11 HD13 ' A' ' 622' ' ' ILE . 91.5 t -63.41 -56.81 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 72.02 111.138 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 1.141 HG12 HD23 ' B' ' 403' ' ' LEU . 12.4 m -48.92 -32.36 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 73.24 111.153 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -67.12 -38.03 84.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.43 110.866 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.6 mt -62.53 -47.11 94.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 63.54 111.136 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.591 HG12 HD11 ' A' ' 667' ' ' LEU . 10.5 mt -54.14 -64.75 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 65.22 111.093 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -53.8 -24.65 16.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 61.44 110.916 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.86 -35.82 75.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 71.13 110.889 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -115.12 17.28 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 74.43 110.924 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.644 ' OE1' HD23 ' A' ' 644' ' ' LEU . 28.5 tt0 -109.83 95.86 22.09 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.684 0.754 . . . . 65.22 110.96 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -32.47 18.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.659 2.24 . . . . 75.31 112.38 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 8.0 t -62.53 -25.65 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 74.02 110.843 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.644 HD23 ' OE1' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -50.01 110.77 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 72.25 110.876 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -121.66 35.21 4.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 73.13 110.928 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.03 115.11 18.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 71.1 110.876 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 1.6 p -58.06 -32.86 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 72.02 110.859 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -106.81 137.41 19.48 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.708 . . . . 65.44 110.847 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -8.46 23.67 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.684 2.256 . . . . 62.44 112.356 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -92.29 23.02 4.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.4 110.846 179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -145.44 135.3 23.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 70.52 110.826 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' B' ' 403' ' ' LEU . 0.3 OUTLIER -138.45 140.65 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 63.32 111.13 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.485 ' H ' HD21 ' A' ' 644' ' ' LEU . 11.6 tt0 -119.68 98.3 6.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.31 110.897 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.932 HD11 HD22 ' B' ' 403' ' ' LEU . 26.1 mt -84.76 110.35 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.4 111.14 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -126.42 90.09 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 72.03 110.868 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.66 ' CD1' HD11 ' A' ' 664' ' ' LEU . 20.1 m-30 -57.65 -29.18 64.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 70.15 110.879 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -51.56 -30.35 20.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.33 110.916 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 6.1 t -117.3 -25.4 7.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 74.44 111.121 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -56.02 155.97 5.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 72.42 110.899 179.897 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.556 ' H ' HD13 ' A' ' 659' ' ' LEU . 4.2 mtmm -88.89 162.38 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.648 0.737 . . . . 70.24 110.858 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -32.2 18.77 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.617 2.212 . . . . 72.43 112.342 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.65 -51.72 64.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 51.04 110.81 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.403 ' HB ' HD12 ' A' ' 659' ' ' LEU . 90.2 m -67.24 -40.86 86.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 44.04 111.121 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 610' ' ' MET . 0.9 OUTLIER -51.03 -53.76 30.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 53.41 110.905 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -33.53 75.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 70.42 110.866 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.23 -50.54 61.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 72.52 110.894 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.591 HD11 HG12 ' A' ' 637' ' ' ILE . 5.7 mt -62.67 -38.06 88.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 60.34 110.891 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.429 ' HB2' HD21 ' A' ' 618' ' ' LEU . 16.6 tt0 -60.6 -28.29 68.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 75.02 110.95 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.39 -36.14 63.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 63.53 110.934 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -76.97 -46.27 24.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 70.14 110.917 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.809 HG23 HD11 ' A' ' 625' ' ' LEU . 8.0 p -58.58 -32.67 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 70.53 111.094 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.6 m -74.05 -34.84 64.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.129 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.4 t -63.78 -35.59 81.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 72.42 110.805 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -88.6 -42.2 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 72.41 110.902 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.703 HD22 ' OD1' ' A' ' 621' ' ' ASP . 17.0 tp -66.66 -28.01 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 74.05 110.931 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.16 120.51 5.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.55 110.865 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.39 -45.92 0.05 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 74.43 110.877 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 38.7 mttm . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.428 . . . . 64.13 110.915 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.523 -0.066 0 CA-C-O 120.813 0.34 . . . . 73.1 111.141 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.807 ' HB3' HD22 ' A' ' 630' ' ' LEU . 10.6 m95 -91.77 153.21 19.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 75.44 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.1 ptt180 -119.27 172.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.776 HG23 HD11 ' B' ' 403' ' ' LEU . 8.9 p -140.31 131.94 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 65.14 111.194 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -141.56 112.27 7.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.849 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 164.54 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.03 110.811 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.3 p -127.62 -175.21 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.861 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -68.01 -26.81 66.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 64.22 110.902 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.419 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.8 m-20 -47.04 165.09 0.21 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 75.5 110.91 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . 0.411 ' O ' HD22 ' B' ' 399' ' ' LEU . 53.7 Cg_endo -69.78 -23.57 30.56 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.695 2.263 . . . . 74.33 112.315 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.0 OUTLIER -164.93 57.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 75.11 110.881 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 15.1 ttmt -106.22 136.23 46.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 45.14 110.873 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.625 HG22 ' CD1' ' B' ' 403' ' ' LEU . 0.7 OUTLIER -134.71 112.64 15.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 73.3 111.153 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -89.46 96.96 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 62.32 110.874 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 1.141 HD23 HG12 ' A' ' 634' ' ' VAL . 1.2 mp -96.34 139.61 32.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 72.55 110.882 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 14.8 p -148.27 147.43 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.54 111.224 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.424 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.4 mtp85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 71.14 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.857 0.361 . . . . 73.01 110.885 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 1.8 p -126.73 -72.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 73.43 110.882 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 53.29 53.59 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 72.31 110.868 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -175.06 -53.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.877 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -52.54 -36.82 56.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 71.23 110.911 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.25 -35.09 77.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 75.04 110.852 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -94.44 18.65 10.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 60.22 110.871 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 51.2 t -89.07 106.3 18.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 74.43 110.888 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 159.18 31.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.719 . . . . 73.15 110.832 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.75 161.29 46.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 70.13 112.379 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.714 ' HB2' HD23 ' A' ' 664' ' ' LEU . 60.1 mmm -126.95 113.88 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 63.04 110.846 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.77 159.23 22.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 61.53 110.876 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -65.33 -33.0 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 75.22 110.975 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -52.03 -63.06 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.032 -0.531 . . . . 63.41 110.91 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -55.88 -30.17 61.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 74.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.513 ' HZ3' HD23 ' A' ' 618' ' ' LEU . 12.9 mmtt -71.75 -41.03 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 71.55 110.842 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.791 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -51.79 -32.13 29.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 74.3 110.817 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 616' ' ' ARG . 15.0 tp60 -79.39 -34.45 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.22 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.744 HD21 ' HG3' ' A' ' 668' ' ' GLU . 0.5 OUTLIER -69.85 -42.63 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 63.44 110.887 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.544 ' OG ' HD11 ' B' ' 399' ' ' LEU . 1.2 p -59.22 -45.3 91.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 71.11 110.797 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 2.3 tp -74.36 -53.37 9.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.49 . . . . 64.32 110.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . 0.492 ' O ' HD13 ' A' ' 625' ' ' LEU . 37.9 m-20 -51.65 -61.2 2.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 53.14 110.842 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.812 HG22 HD12 ' A' ' 630' ' ' LEU . 76.6 mt -52.93 -37.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.13 111.073 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -65.43 -35.64 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 74.43 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -28.7 61.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.849 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 629' ' ' LYS . 9.1 mp -59.89 161.6 11.67 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.642 0.735 . . . . 62.4 110.881 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 164.18 35.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.692 2.262 . . . . 54.22 112.349 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . 0.66 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -55.87 -34.3 61.24 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 63.13 112.455 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.82 -40.82 92.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.923 0.392 . . . . 75.41 110.866 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.668 ' HB3' HD23 ' A' ' 625' ' ' LEU . 9.7 mttt -72.93 -43.38 62.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 54.12 110.864 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.812 HD12 HG22 ' A' ' 622' ' ' ILE . 0.6 OUTLIER -67.54 -47.14 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 65.31 110.899 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -47.29 -43.1 18.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.745 -0.741 . . . . 73.41 112.511 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -62.87 -47.7 82.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.883 0.373 . . . . 75.24 110.867 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 667' ' ' LEU . 90.4 t -61.61 -59.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 60.25 111.107 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.649 HG13 HG21 ' A' ' 652' ' ' ILE . 44.0 t -50.5 -29.14 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 72.32 111.158 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -67.38 -35.84 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 73.21 110.857 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.7 mt -68.97 -36.28 73.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 61.41 111.106 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.657 HD11 ' CD1' ' A' ' 667' ' ' LEU . 46.0 mt -72.68 -54.43 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 74.51 111.099 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -61.52 -18.09 57.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 65.43 110.918 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 36.0 t -96.18 -34.11 11.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 70.43 110.911 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.18 -32.6 44.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.077 -0.511 . . . . 64.5 110.871 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.531 ' HG2' HD23 ' A' ' 644' ' ' LEU . 0.8 OUTLIER -86.35 122.89 72.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.684 0.754 . . . . 50.24 110.855 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -43.0 2.91 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 62.22 112.305 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.94 -31.47 71.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 64.22 110.863 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.531 HD23 ' HG2' ' A' ' 641' ' ' GLU . 0.5 OUTLIER -60.74 -167.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 73.15 110.866 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt 69.53 50.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 71.11 110.902 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.53 -171.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 75.43 110.844 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.46 -30.35 64.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 73.4 110.892 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -120.59 123.16 28.21 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.648 0.737 . . . . 73.34 110.922 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -4.48 14.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.767 2.311 . . . . 74.43 112.325 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . 0.417 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.35 22.9 2.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 72.0 110.861 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.29 134.07 22.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 72.51 110.911 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.649 HG21 HG13 ' A' ' 634' ' ' VAL . 0.2 OUTLIER -141.87 137.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 53.53 111.112 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -115.81 97.5 6.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.129 -0.487 . . . . 73.31 110.88 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.625 HG23 HD13 ' A' ' 637' ' ' ILE . 9.7 mt -91.76 109.58 21.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.137 -0.483 . . . . 62.12 111.169 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -127.86 97.05 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 72.11 110.866 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.673 ' CE2' HD12 ' B' ' 399' ' ' LEU . 18.7 m-85 -59.82 -19.39 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 71.41 110.898 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.17 -29.5 70.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 74.3 110.966 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 4.4 t -118.58 -26.31 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 52.42 111.112 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 158.34 4.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 73.44 110.994 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -88.25 161.45 43.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.645 0.736 . . . . 62.41 110.816 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -31.68 19.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 50.1 112.318 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.18 -55.19 36.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 54.3 110.918 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 91.6 m -64.22 -38.34 90.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 74.43 111.141 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.714 HD23 ' HB2' ' A' ' 610' ' ' MET . 1.6 mp -52.83 -60.84 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 71.52 110.869 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -34.88 73.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.4 110.938 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.65 -35.72 22.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 64.31 110.938 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.657 ' CD1' HD11 ' A' ' 637' ' ' ILE . 1.5 mt -77.13 -43.19 34.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.054 -0.521 . . . . 51.22 110.868 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.744 ' HG3' HD21 ' A' ' 618' ' ' LEU . 0.4 OUTLIER -61.49 -30.37 70.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.43 110.845 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -35.58 63.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 71.01 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -79.02 -46.67 17.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 74.42 111.001 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 668' ' ' GLU . 9.9 p -57.18 -32.38 40.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 73.04 111.139 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.3 m -73.3 -42.31 62.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 75.33 111.08 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.5 -34.83 79.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 73.05 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -36.9 23.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 70.54 110.902 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 11.1 tp -91.59 14.49 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.977 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -168.24 120.11 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 74.41 110.85 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -136.06 96.31 3.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.54 110.905 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.89 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . 0.66 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 73.53 111.113 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.427 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 6.7 m95 -85.59 160.32 19.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.901 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -139.41 161.97 36.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.949 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.863 HG23 HD22 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -134.51 159.66 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 73.53 111.131 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.7 101.62 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 73.32 110.947 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.44 157.84 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 50.54 110.817 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.75 -179.52 5.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 54.32 110.819 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -55.26 -26.2 38.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 74.53 111.004 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.417 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.5 m120 -46.04 162.58 0.24 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.659 0.742 . . . . 74.3 110.838 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -19.38 36.32 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.244 . . . . 75.31 112.318 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.791 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -177.96 60.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 74.31 110.878 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.417 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 24.3 ttmt -112.18 118.92 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 73.31 110.898 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 619' ' ' SER . 0.2 OUTLIER -118.26 109.0 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 70.42 111.126 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.23 100.0 10.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.915 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.863 HD22 HG23 ' B' ' 392' ' ' VAL . 0.5 OUTLIER -83.15 144.34 29.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 55.14 110.921 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 39.7 p -151.9 144.06 23.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 71.21 111.221 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 23.0 mtp85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.445 . . . . 72.21 110.916 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.833 0.349 . . . . 74.14 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.83 104.53 4.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 53.21 110.832 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -99.09 36.15 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.12 110.937 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -178.01 40.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 75.54 110.963 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -130.14 -60.22 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 72.33 110.917 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.91 -35.23 72.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 74.53 110.9 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -30.49 70.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 64.42 110.891 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 19.6 m -90.92 105.83 18.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 60.4 110.886 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.76 155.75 36.8 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.459 0.647 . . . . 73.2 110.967 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 159.05 54.86 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.27 . . . . 74.1 112.318 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.562 ' CB ' HD22 ' A' ' 664' ' ' LEU . 56.9 mmm -135.06 113.27 11.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 65.22 110.944 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.92 -179.58 3.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 74.5 110.923 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . 0.424 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 21.5 p90 -64.37 -28.87 69.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.947 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -62.18 1.82 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.101 -0.5 . . . . 71.35 110.862 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -68.47 -33.03 73.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.875 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.634 ' HG2' HD11 ' A' ' 664' ' ' LEU . 2.5 mtmt -60.4 -57.69 11.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.14 110.978 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.682 ' HA ' HD21 ' B' ' 399' ' ' LEU . 2.9 ptt180 -51.66 -33.28 32.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.831 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -34.3 76.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 71.22 110.942 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.616 HD11 HD23 ' A' ' 664' ' ' LEU . 40.4 mt -69.89 -53.94 15.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.91 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.628 ' OG ' HD11 ' B' ' 399' ' ' LEU . 3.1 p -51.0 -37.97 48.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 71.05 110.841 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.4 -59.56 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 54.31 110.905 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -48.14 -61.04 2.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 74.43 110.841 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.578 HG22 HD12 ' A' ' 630' ' ' LEU . 3.5 mt -53.79 -40.55 44.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.1 111.096 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 19.5 t30 -62.58 -41.53 99.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 74.03 110.813 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -69.34 -28.41 66.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 54.32 110.878 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.643 ' CD2' HG23 ' A' ' 671' ' ' VAL . 3.6 mp -62.35 160.48 32.43 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.587 0.708 . . . . 75.31 110.909 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 165.06 32.24 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.661 2.241 . . . . 75.42 112.346 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . 0.511 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -50.2 -57.66 9.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 64.0 112.475 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -50.19 -39.7 44.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.39 . . . . 72.15 110.89 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.463 ' HD2' HD23 ' A' ' 625' ' ' LEU . 2.7 mmtm -67.19 -40.31 86.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 73.23 110.893 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.89 HD21 HD12 ' B' ' 403' ' ' LEU . 0.6 OUTLIER -68.81 -49.19 60.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 74.23 110.882 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.29 -39.35 5.45 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 72.41 112.494 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -48.8 65.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 73.04 110.817 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.562 HG21 HG12 ' A' ' 622' ' ' ILE . 31.4 t -61.06 -56.02 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 74.21 111.172 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.716 HG12 HE21 ' A' ' 638' ' ' GLN . 16.6 t -50.62 -33.7 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 72.24 111.078 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -64.6 -34.47 78.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.895 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.2 mt -69.1 -61.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 73.44 111.105 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.709 HG21 HG23 ' A' ' 654' ' ' ILE . 65.9 mt -54.06 -44.37 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 74.44 111.128 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.716 HE21 HG12 ' A' ' 634' ' ' VAL . 2.9 pt20 -70.44 -14.3 62.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 54.04 110.903 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 2.3 m -90.65 -35.67 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 72.51 110.874 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -32.76 16.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 71.01 110.923 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -51.59 125.06 27.21 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.612 0.72 . . . . 74.12 110.892 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -42.73 3.05 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.661 2.241 . . . . 74.53 112.286 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -35.56 81.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 65.32 110.802 -179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.41 HD13 ' C ' ' A' ' 644' ' ' LEU . 2.1 tm? -52.12 103.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 54.15 110.941 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -161.34 35.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 63.44 110.86 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -96.83 158.45 15.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 71.11 110.891 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 40.5 m -86.83 7.12 28.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 64.22 110.867 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 649' ' ' PRO . 2.2 t30 -112.79 91.21 16.96 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.617 0.723 . . . . 72.43 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 648' ' ' ASN . 53.4 Cg_endo -69.73 -8.1 22.74 Favored 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.754 2.302 . . . . 54.33 112.354 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 6.19 26.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.827 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -145.42 136.78 25.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 72.42 110.888 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.545 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.18 141.82 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 71.14 111.099 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -118.19 98.33 6.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 72.32 110.836 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.748 HD13 HD23 ' B' ' 403' ' ' LEU . 2.6 mp -90.85 108.88 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 75.24 111.179 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . 0.665 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.0 OUTLIER -109.27 96.38 6.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 75.23 110.808 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.693 ' CE2' HD12 ' B' ' 399' ' ' LEU . 7.4 m-30 -56.4 -26.15 52.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 71.12 110.841 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -56.95 -40.27 76.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 63.31 110.875 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.665 HG22 ' HB2' ' A' ' 655' ' ' ASP . 8.8 t -104.51 -19.75 13.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 60.34 111.117 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.507 HD11 HG23 ' A' ' 637' ' ' ILE . 7.2 tp -55.9 144.26 28.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 70.22 110.923 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.16 162.33 40.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 74.4 110.829 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.7 17.81 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 75.51 112.308 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.6 -43.93 85.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 61.31 110.835 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.413 HG21 ' HA ' ' A' ' 637' ' ' ILE . 23.8 m -72.61 -43.37 63.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 71.23 111.124 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.634 HD11 ' HG2' ' A' ' 615' ' ' LYS . 0.1 OUTLIER -52.4 -59.52 4.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 64.22 110.915 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.37 -37.84 62.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 75.4 110.854 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -53.92 -33.86 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 75.52 110.902 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.707 HD13 HD11 ' A' ' 637' ' ' ILE . 2.7 mt -75.94 -56.35 4.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 63.3 110.945 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.417 ' HA ' HG12 ' A' ' 671' ' ' VAL . 1.2 tt0 -51.96 -31.1 27.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 74.12 110.842 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.51 -34.89 65.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 62.34 110.873 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -79.13 -49.1 13.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 73.21 110.948 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.643 HG23 ' CD2' ' A' ' 625' ' ' LEU . 8.3 p -53.98 -33.73 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.071 -0.513 . . . . 64.14 111.121 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 21.4 m -82.15 -33.84 29.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.32 111.127 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.11 -34.03 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.1 110.885 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 68.2 m -84.46 -50.7 7.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 54.11 110.882 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.555 HD22 HD11 ' A' ' 625' ' ' LEU . 11.5 tp -69.97 -28.12 65.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 73.43 110.981 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 62.39 64.17 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.45 110.828 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 147.15 33.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.872 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 63.4 110.938 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . 0.511 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.83 0.348 . . . . 61.53 111.123 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.539 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 7.9 m95 -87.2 161.77 17.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.929 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -139.75 164.66 29.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 74.33 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.681 HG23 HD22 ' B' ' 403' ' ' LEU . 1.5 p -137.91 144.53 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 73.43 111.154 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -137.21 99.66 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 73.15 110.924 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.42 170.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 73.14 110.827 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.55 -169.2 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 74.33 110.8 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -70.73 -29.34 65.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.104 -0.498 . . . . 73.21 110.934 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.428 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 1.9 m-20 -47.6 164.9 0.23 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.647 0.736 . . . . 74.21 110.865 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 -12.91 34.0 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.699 2.266 . . . . 73.24 112.425 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.693 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -178.95 59.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 73.23 110.893 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 655' ' ' ASP . 0.9 OUTLIER -108.95 119.48 39.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 70.34 110.851 179.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.651 HD12 ' HB ' ' A' ' 654' ' ' ILE . 0.5 OUTLIER -122.44 111.97 32.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 73.41 111.151 179.85 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -86.65 106.2 17.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 74.32 110.839 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.89 HD12 HD21 ' A' ' 630' ' ' LEU . 2.4 mm? -89.32 139.54 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.5 110.925 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . . . . . . . . . 19.7 p -146.5 143.14 28.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 54.25 111.149 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 41.1 mtp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.02 110.933 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.853 0.359 . . . . 71.22 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 3.0 p -109.25 -74.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 72.51 110.838 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 57.84 38.17 27.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 72.33 110.897 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -169.98 -69.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 74.3 110.871 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -57.25 -36.24 70.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.91 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -93.42 -26.2 17.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 70.2 110.863 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -29.67 70.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.439 . . . . 65.04 110.895 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 16.1 p -48.95 138.61 11.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 51.21 110.96 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -98.53 154.34 37.57 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 65.3 110.876 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 53.3 Cg_endo -69.82 161.04 47.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.69 2.26 . . . . 75.23 112.332 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.6 mmm -123.81 106.84 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 75.1 110.848 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.78 148.59 50.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.194 -0.457 . . . . 72.34 110.904 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -44.24 -35.87 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 73.1 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.78 -48.75 50.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 70.55 110.924 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -79.64 -34.62 40.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.35 110.811 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.733 ' HA ' HD23 ' A' ' 618' ' ' LEU . 3.1 mtmm -61.09 -39.08 88.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.01 110.874 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.464 ' HA ' HD21 ' B' ' 399' ' ' LEU . 5.9 mtm180 -68.39 -45.76 71.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.841 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -55.75 -28.94 58.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 54.15 110.856 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.77 HD12 HD12 ' A' ' 622' ' ' ILE . 0.3 OUTLIER -86.05 -28.75 23.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 65.42 110.883 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . 0.418 ' HB3' HD11 ' B' ' 399' ' ' LEU . 30.5 p -65.02 -46.64 80.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 54.04 110.829 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 18.2 tp -77.89 -40.87 38.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 72.12 110.867 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.16 -58.32 5.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 75.54 110.847 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.77 HD12 HD12 ' A' ' 618' ' ' LEU . 33.2 mt -57.9 -38.85 68.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 72.01 111.144 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.11 -37.71 80.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.885 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 9.0 ttpp -70.77 -28.64 64.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.91 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.614 ' CD1' HG23 ' A' ' 671' ' ' VAL . 23.7 mt -68.3 160.48 75.3 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.622 0.725 . . . . 72.13 110.918 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 164.67 33.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.712 2.275 . . . . 73.34 112.348 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -51.64 -44.56 54.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 53.22 112.471 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -49.04 -40.19 30.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 64.34 110.873 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.503 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.9 mmtp -71.68 -35.76 70.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.86 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.966 HD23 HG11 ' A' ' 634' ' ' VAL . 0.1 OUTLIER -63.46 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.262 -0.427 . . . . 63.11 110.908 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -42.63 -35.62 2.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 64.23 112.574 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -53.76 10.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 72.24 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.527 HG11 ' CD1' ' A' ' 622' ' ' ILE . 59.2 t -64.93 -52.91 47.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 74.31 111.151 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.968 HG12 HD23 ' B' ' 403' ' ' LEU . 6.7 m -48.38 -32.68 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 75.21 111.186 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -70.62 -37.21 73.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.507 . . . . 54.44 110.829 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 7.1 mt -56.53 -37.72 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 71.25 111.144 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.764 HG21 HG12 ' A' ' 654' ' ' ILE . 3.1 mp -65.72 -65.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.127 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.734 ' HB3' HD11 ' A' ' 652' ' ' ILE . 9.0 pt20 -53.96 -24.32 16.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 73.03 110.913 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 1.5 t -71.24 -34.88 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 70.41 110.821 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -115.14 17.4 16.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.899 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.69 ' OE1' HD23 ' A' ' 644' ' ' LEU . 55.5 tt0 -109.92 103.93 54.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.607 0.718 . . . . 62.41 110.834 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -32.46 18.51 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.633 2.222 . . . . 51.21 112.358 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -32.29 73.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 62.33 110.843 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.69 HD23 ' OE1' ' A' ' 641' ' ' GLU . 0.3 OUTLIER -53.63 101.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 70.34 110.885 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -118.61 35.96 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 61.34 110.861 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.517 ' H ' HD13 ' A' ' 644' ' ' LEU . 33.8 m-20 -81.92 103.67 11.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.299 -0.41 . . . . 74.5 110.874 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 17.6 m -57.7 -27.76 63.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 62.23 110.869 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -104.57 130.19 23.68 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.595 0.712 . . . . 71.25 110.84 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -12.21 32.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.252 . . . . 73.11 112.395 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . 0.424 ' CG ' ' HB2' ' B' ' 405' ' ' ARG . 4.9 t70 -83.13 11.69 6.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.884 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.425 ' HA ' HG22 ' B' ' 404' ' ' THR . 28.5 tt0 -150.29 129.69 12.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 73.4 110.895 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.734 HD11 ' HB3' ' A' ' 638' ' ' GLN . 0.0 OUTLIER -142.38 133.67 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.094 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -117.4 98.73 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 71.21 110.919 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.764 HG12 HG21 ' A' ' 637' ' ' ILE . 36.3 mt -91.54 108.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 63.53 111.136 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -106.19 96.04 6.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.25 110.9 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' B' ' 399' ' ' LEU . 5.1 m-30 -57.65 -28.4 63.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 75.51 110.876 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -54.27 -34.22 60.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 51.01 110.854 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 5.6 t -112.45 -21.23 11.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 35.32 111.069 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 8.0 tp -55.34 154.18 6.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.272 -0.422 . . . . 75.5 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -88.19 158.84 49.0 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 74.24 110.908 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . 0.428 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.1 Cg_endo -69.83 -38.1 8.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 70.55 112.317 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.54 -52.06 56.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 62.23 110.875 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.414 HG21 ' HA ' ' A' ' 637' ' ' ILE . 25.5 m -63.29 -44.37 95.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.17 -0.468 . . . . 53.54 111.171 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.49 HD11 ' HD2' ' A' ' 615' ' ' LYS . 0.1 OUTLIER -51.56 -60.14 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 53.15 110.899 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -34.66 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 52.04 110.946 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.44 -34.63 35.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.962 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.708 HD13 HD11 ' A' ' 637' ' ' ILE . 1.2 mt -77.4 -44.84 27.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 74.44 110.885 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.447 ' HA ' HG12 ' A' ' 671' ' ' VAL . 22.2 tt0 -59.59 -27.64 66.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.464 . . . . 72.24 110.892 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -78.32 -35.67 47.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.02 110.832 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -78.88 -36.58 41.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 71.42 110.942 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.614 HG23 ' CD1' ' A' ' 625' ' ' LEU . 7.8 p -69.91 -31.75 49.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.33 111.167 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 98.9 m -76.43 -31.07 57.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 53.12 111.195 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 21.9 t -71.92 -34.09 68.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 65.41 110.825 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 41.6 m -85.85 -50.96 6.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 70.4 110.83 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 675' ' ' LEU . 1.3 tt -70.06 -28.24 65.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.945 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 23.4 ttt85 63.21 61.96 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.843 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.34 142.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.9 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 64.23 110.911 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.741 0.305 . . . . 62.14 111.148 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.798 ' HB3' HD22 ' A' ' 630' ' ' LEU . 16.2 m95 -89.49 156.29 18.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 74.23 110.928 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -130.01 175.07 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 70.24 110.893 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' B' ' 401' ' ' ILE . 14.8 p -137.99 131.5 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 63.14 111.144 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -139.77 112.34 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 73.23 110.887 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 168.87 17.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.914 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.48 -173.13 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 31.54 110.812 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -65.27 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 74.53 110.9 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -47.34 165.29 0.22 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.659 0.742 . . . . 65.32 110.889 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -17.86 37.31 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 62.02 112.35 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.729 HD12 HD11 ' B' ' 401' ' ' ILE . 0.1 OUTLIER -174.85 56.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.11 110.9 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -102.08 103.86 14.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.858 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.729 HD11 HD12 ' B' ' 399' ' ' LEU . 0.9 OUTLIER -102.05 110.52 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 72.41 111.113 179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.06 95.93 10.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 74.31 110.839 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.968 HD23 HG12 ' A' ' 634' ' ' VAL . 0.3 OUTLIER -89.82 139.01 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 72.11 110.88 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 651' ' ' GLU . 27.1 p -149.04 141.24 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 61.13 111.14 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.424 ' HB2' ' CG ' ' A' ' 650' ' ' ASP . 54.5 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.41 110.85 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.875 0.369 . . . . 73.14 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 10.8 m 63.83 107.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 65.22 110.853 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -94.87 35.9 1.23 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 74.45 110.854 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -145.49 -42.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.4 110.9 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -84.06 -38.47 20.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 72.35 110.861 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -52.21 -35.1 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 64.14 110.895 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -75.3 -30.41 60.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.841 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 50.5 m -84.35 113.68 21.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.312 -0.404 . . . . 50.31 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -93.37 153.41 41.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 75.43 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.82 161.1 47.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 74.21 112.351 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . 0.713 ' HB2' HD22 ' A' ' 664' ' ' LEU . 24.0 mmm -125.66 129.76 50.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.11 110.83 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.04 154.36 22.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.827 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -50.91 -35.15 31.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 75.13 110.891 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.83 -59.24 4.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 74.51 110.903 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.39 -60.83 2.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 61.41 110.892 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.729 ' HD3' HD21 ' A' ' 664' ' ' LEU . 0.0 OUTLIER -49.9 -32.85 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 72.14 110.929 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.797 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -55.97 -45.25 78.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.834 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -67.98 -26.24 65.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 74.11 110.93 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.686 HD11 ' HA ' ' A' ' 668' ' ' GLU . 4.3 mm? -70.72 -48.95 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 71.24 110.985 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.09 -41.56 68.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 70.0 110.857 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.26 -55.72 5.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 73.23 110.909 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -50.83 -61.04 2.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 63.34 110.841 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.772 HD13 HG11 ' A' ' 633' ' ' VAL . 97.0 mt -53.64 -35.73 27.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 51.34 111.084 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -66.76 -41.14 88.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.32 110.873 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.5 tttm -69.19 -28.83 66.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.905 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 1.026 HD11 HD23 ' A' ' 675' ' ' LEU . 1.2 mp -62.78 162.15 23.57 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.613 0.721 . . . . 63.33 110.906 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 163.83 36.84 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.681 2.254 . . . . 73.24 112.316 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -52.6 -48.35 55.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 62.03 112.435 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -49.6 -38.01 29.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 72.11 110.907 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.727 ' HE2' HD23 ' A' ' 625' ' ' LEU . 0.0 OUTLIER -70.13 -59.13 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 73.52 110.927 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.77 HD21 ' HG ' ' B' ' 403' ' ' LEU . 2.0 tt -51.87 -45.29 64.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 75.33 110.938 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -50.5 -40.24 38.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 61.02 112.465 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.54 -35.44 70.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 64.33 110.912 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.772 HG11 HD13 ' A' ' 622' ' ' ILE . 92.6 t -65.29 -56.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.081 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.759 HG21 ' CZ3' ' B' ' 390' ' ' TRP . 3.0 p -50.03 -34.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 73.21 111.212 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.09 -36.34 83.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 74.4 110.821 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.9 mt -65.23 -56.34 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 71.44 111.139 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.743 HG21 HG12 ' A' ' 654' ' ' ILE . 4.1 mp -49.93 -62.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.53 111.133 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.449 ' NE2' HG22 ' A' ' 634' ' ' VAL . 4.4 pt20 -50.45 -28.74 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 71.42 110.9 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.09 -49.91 63.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 72.52 110.888 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 9.4 mmt-85 -97.47 17.21 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 73.54 110.97 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.696 ' HG2' HD23 ' A' ' 644' ' ' LEU . 1.5 tp10 -109.73 92.77 12.94 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.653 0.739 . . . . 73.42 110.848 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 53.6 Cg_endo -69.81 -31.74 19.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.658 2.239 . . . . 70.21 112.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -28.29 68.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 64.32 110.822 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.696 HD23 ' HG2' ' A' ' 641' ' ' GLU . 0.2 OUTLIER -49.66 108.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 72.44 110.891 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 47.3 mmtt -124.62 35.2 4.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.897 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . 0.527 HD22 HD11 ' A' ' 644' ' ' LEU . 15.7 m-20 -69.41 124.59 24.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 74.14 110.871 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 6.2 p -60.09 -34.54 73.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 44.2 110.841 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -110.01 136.74 20.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.664 0.745 . . . . 73.52 110.891 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -7.69 21.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 72.04 112.342 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.1 OUTLIER -91.4 22.43 3.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 74.04 110.854 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.44 ' HA ' HG22 ' B' ' 404' ' ' THR . 37.8 tt0 -148.41 135.78 20.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.15 110.892 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.721 HG21 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.48 144.93 22.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 74.55 111.132 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . 0.604 ' H ' HD21 ' A' ' 644' ' ' LEU . 4.1 tt0 -118.43 97.96 6.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.484 . . . . 62.43 110.89 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.796 HD11 HD22 ' B' ' 403' ' ' LEU . 27.9 mt -89.58 108.64 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 61.12 111.178 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . 0.628 ' C ' HD12 ' A' ' 659' ' ' LEU . 0.0 OUTLIER -121.15 104.37 9.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 75.42 110.861 179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.528 ' CE2' HD12 ' B' ' 399' ' ' LEU . 16.7 m-85 -63.46 -14.72 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.862 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.84 -26.21 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 64.53 110.924 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.552 HG22 ' HB2' ' A' ' 655' ' ' ASP . 13.2 t -118.34 -24.92 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 65.41 111.166 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.631 HD21 HG23 ' A' ' 637' ' ' ILE . 6.3 mt -54.69 160.2 1.93 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.445 . . . . 62.34 110.931 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -89.26 162.56 36.88 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.531 0.681 . . . . 74.21 110.894 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.64 28.29 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.626 2.218 . . . . 74.24 112.37 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -70.46 -54.77 10.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 75.42 110.83 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . . . . . . . . . 5.2 m -57.26 -40.44 77.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 74.41 111.139 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.729 HD21 ' HD3' ' A' ' 615' ' ' LYS . 0.0 OUTLIER -54.78 -46.76 74.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.916 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -70.41 -34.38 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 75.23 110.905 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.66 -45.3 63.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 74.25 110.844 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.633 ' CD1' HD11 ' A' ' 637' ' ' ILE . 5.2 mt -67.14 -49.24 65.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 43.42 110.934 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.686 ' HA ' HD11 ' A' ' 618' ' ' LEU . 46.7 tt0 -55.77 -27.32 50.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 74.35 110.817 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -34.11 63.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.845 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -79.09 -47.21 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.91 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.471 HG23 ' CD2' ' A' ' 625' ' ' LEU . 7.3 p -56.78 -33.14 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 73.1 111.098 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 86.8 m -76.99 -34.75 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 73.21 111.157 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 39.5 t -74.19 -35.42 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 51.55 110.861 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -50.23 11.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.862 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 1.026 HD23 HD11 ' A' ' 625' ' ' LEU . 0.2 OUTLIER -72.69 -28.13 62.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.89 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.62 170.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.887 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.66 -172.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 74.23 110.894 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 75.42 110.964 179.8 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 120.751 0.31 . . . . 74.12 111.15 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.759 ' CZ3' HG21 ' A' ' 634' ' ' VAL . 7.5 m95 -73.29 155.51 39.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 74.52 110.873 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -136.22 174.5 10.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 64.41 110.83 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.715 HG21 HD11 ' A' ' 630' ' ' LEU . 68.1 t -150.39 143.07 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 70.24 111.156 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -136.22 108.97 7.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 44.33 110.963 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 165.44 5.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 73.21 110.92 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 8.3 t -134.51 179.84 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 53.34 110.827 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -59.92 -26.3 65.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 54.43 110.918 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.405 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.7 m-20 -46.51 163.18 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.637 0.732 . . . . 60.22 110.911 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.72 36.61 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.66 2.24 . . . . 71.44 112.296 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.797 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -177.43 60.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 63.1 110.831 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.405 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 8.9 ttmt -115.56 119.34 35.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.866 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.453 HD12 HD11 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -116.61 112.16 38.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 73.52 111.156 179.802 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 1.9 mtm-85 -82.58 103.69 12.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 73.25 110.87 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.796 HD22 HD11 ' A' ' 654' ' ' ILE . 5.1 mp -88.3 135.49 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 70.24 110.91 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.44 HG22 ' HA ' ' A' ' 651' ' ' GLU . 25.7 p -147.43 141.76 26.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 64.03 111.185 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.427 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.0 mtp85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 60.53 110.884 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.897 0.38 . . . . 75.33 110.923 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.81 112.61 21.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 63.11 110.875 -179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -104.61 36.6 2.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.34 110.921 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -178.04 38.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 71.24 110.877 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.95 -58.86 2.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 62.11 110.948 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -68.72 -35.16 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 75.43 110.849 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.84 -30.53 71.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 74.42 110.887 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 31.8 m -85.98 106.31 17.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 64.51 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.8 mmtp -97.64 156.41 36.12 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 60.31 110.899 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.705 2.27 . . . . 74.35 112.322 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 43.6 mtp -150.35 119.22 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.902 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 1.4 t -80.82 -179.46 7.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 63.05 110.852 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . 0.402 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 30.2 p90 -61.63 -25.56 67.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.926 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -60.92 2.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 72.25 110.906 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -68.12 -21.83 64.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 74.52 110.836 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.521 ' HE3' HD11 ' B' ' 401' ' ' ILE . 0.0 OUTLIER -70.37 -56.82 5.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.44 110.924 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -28.2 8.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.88 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 32.5 tp60 -78.91 -55.48 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 72.13 110.946 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.581 HD12 HD12 ' A' ' 622' ' ' ILE . 1.6 pp -61.57 -30.23 70.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 73.15 110.937 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 5.5 p -65.48 -47.41 76.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 54.24 110.856 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 21.3 tp -67.99 -48.45 65.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.892 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . 0.469 ' O ' HD13 ' A' ' 625' ' ' LEU . 7.7 t0 -51.4 -55.31 19.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 64.33 110.823 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.581 HD12 HD12 ' A' ' 618' ' ' LEU . 60.5 mt -52.14 -35.95 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 71.12 111.081 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -72.75 -35.95 67.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 72.22 110.871 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . 0.617 ' HE2' HD21 ' A' ' 675' ' ' LEU . 0.1 OUTLIER -73.03 -28.55 62.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 64.13 110.868 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.745 ' CD1' HD23 ' A' ' 675' ' ' LEU . 6.5 mp -57.16 161.37 5.24 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.65 0.738 . . . . 74.25 110.871 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 164.55 34.2 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.706 2.27 . . . . 75.11 112.324 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.64 -57.82 10.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.67 -0.776 . . . . 64.4 112.535 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -49.3 -37.79 25.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 73.11 110.884 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.732 ' O ' HG23 ' A' ' 633' ' ' VAL . 1.5 mmtm -67.26 -39.62 86.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 72.12 110.944 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.732 ' O ' HG12 ' A' ' 634' ' ' VAL . 2.0 tt -63.92 -46.83 83.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 73.42 110.924 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -51.04 -38.32 38.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.733 -0.746 . . . . 64.11 112.495 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -40.4 69.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 73.45 110.831 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 629' ' ' LYS . 17.5 t -62.25 -63.61 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 42.43 111.062 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.732 HG12 ' O ' ' A' ' 630' ' ' LEU . 1.6 p -49.3 -33.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.02 111.143 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -56.25 -47.56 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 61.11 110.838 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . . . . . . . . . 2.8 mt -63.43 -52.26 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 71.51 111.136 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.571 HD13 HD13 ' A' ' 654' ' ' ILE . 46.3 mt -60.28 -27.39 39.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 73.04 111.109 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.619 HE21 HG22 ' A' ' 634' ' ' VAL . 1.6 mt-30 -63.79 -37.64 88.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 54.52 110.919 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.23 -24.7 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 70.12 110.906 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -30.77 43.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 65.54 110.815 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.414 ' HA ' ' HD2' ' A' ' 642' ' ' PRO . 2.9 tp10 -92.18 108.13 28.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.618 0.723 . . . . 72.4 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 53.9 Cg_endo -69.81 -41.68 4.0 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.664 2.243 . . . . 75.42 112.333 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.1 -27.16 31.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 75.11 110.827 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.595 ' O ' HD23 ' A' ' 644' ' ' LEU . 4.1 tt -47.36 114.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 61.4 110.958 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt -141.21 34.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 53.22 110.834 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -68.33 126.5 29.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 74.44 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.05 -33.76 69.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 65.45 110.874 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -111.22 136.37 20.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 70.4 110.88 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -7.44 21.03 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.666 2.244 . . . . 74.3 112.326 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' B' ' 405' ' ' ARG . 0.0 OUTLIER -89.53 16.75 7.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.258 -0.428 . . . . 64.42 110.869 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.422 ' HA ' HG22 ' B' ' 404' ' ' THR . 73.4 tt0 -148.19 139.68 23.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.845 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.578 HD12 HG23 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -143.06 139.74 27.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 72.54 111.139 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -115.7 99.81 7.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.55 110.851 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.936 HG22 HD11 ' A' ' 659' ' ' LEU . 8.0 mt -86.32 109.76 19.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.165 -0.47 . . . . 72.45 111.132 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -105.18 100.91 10.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 74.3 110.883 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 659' ' ' LEU . 5.5 t80 -53.7 -34.47 58.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.851 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -61.64 -27.75 68.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 75.21 110.863 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 2.0 p -112.36 11.89 20.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 64.15 111.134 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.936 HD11 HG22 ' A' ' 654' ' ' ILE . 17.2 mt -92.19 144.16 25.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 72.53 110.86 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.58 164.11 30.61 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.566 0.698 . . . . 75.21 110.889 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.05 32.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.256 . . . . 62.13 112.338 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.76 -52.55 17.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 73.23 110.76 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.583 HG22 HD11 ' A' ' 667' ' ' LEU . 25.2 m -59.69 -33.83 72.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.115 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.44 HD21 ' HG2' ' A' ' 615' ' ' LYS . 1.1 tp -62.8 -44.6 95.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 61.2 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.07 -40.34 46.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.842 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -51.44 -55.09 20.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 53.31 110.866 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.583 HD11 HG22 ' A' ' 663' ' ' THR . 2.9 mt -63.51 -37.5 87.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 72.4 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.433 ' HA ' HG12 ' A' ' 671' ' ' VAL . 23.0 tt0 -63.92 -25.84 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.938 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -75.33 -34.51 61.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 75.35 110.845 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.91 -41.18 37.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.11 110.818 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.56 HG23 ' CD2' ' A' ' 625' ' ' LEU . 9.1 p -66.78 -32.18 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 70.55 111.159 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 99.1 m -76.34 -28.72 56.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 73.15 111.191 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 5.9 t -71.01 -34.26 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 61.34 110.953 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 22.6 t -87.71 -51.0 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.055 -0.521 . . . . 73.14 110.863 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.745 HD23 ' CD1' ' A' ' 625' ' ' LEU . 0.1 OUTLIER -69.15 -28.2 66.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.238 -0.437 . . . . 71.33 110.901 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 71.1 mtt-85 57.63 36.93 27.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 73.14 110.891 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.69 116.38 32.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 71.02 110.875 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 73.32 110.893 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.754 0.312 . . . . 74.33 111.136 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.714 ' HB3' HD22 ' A' ' 630' ' ' LEU . 7.7 m95 -75.45 154.11 37.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 75.43 110.892 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 20.4 ptt180 -133.25 176.34 8.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 63.12 110.89 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.73 HG23 HD11 ' A' ' 630' ' ' LEU . 90.0 t -150.58 137.5 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 75.35 111.119 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -138.63 110.24 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 71.44 110.926 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.3 172.56 8.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.277 -0.42 . . . . 71.53 110.836 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 1.4 t -132.71 178.48 6.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 72.14 110.913 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -57.95 -28.61 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 74.52 110.898 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.31 165.11 0.22 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.618 0.723 . . . . 70.12 110.903 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.03 37.19 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.647 2.231 . . . . 72.14 112.384 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.728 HD12 HD11 ' B' ' 401' ' ' ILE . 0.0 OUTLIER -174.37 56.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 54.35 110.904 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -102.04 98.6 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 65.05 110.917 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.728 HD11 HD12 ' B' ' 399' ' ' LEU . 2.1 mp -93.41 128.57 44.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 74.42 111.051 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.64 100.15 8.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.53 110.89 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.694 HD23 ' HB ' ' A' ' 634' ' ' VAL . 5.6 mp -91.79 135.95 33.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 71.54 110.987 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.422 HG22 ' HA ' ' A' ' 651' ' ' GLU . 21.5 p -148.45 142.21 25.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 73.13 111.168 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.441 ' HB2' ' HB3' ' A' ' 650' ' ' ASP . 33.5 mtp85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 75.41 110.897 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.85 0.357 . . . . 62.34 110.9 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.61 -70.95 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 62.13 110.826 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 52.92 37.34 24.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 65.22 110.886 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -179.03 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 73.51 110.929 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -60.34 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 52.34 110.876 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -55.88 -35.18 66.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 65.4 110.917 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -30.64 71.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.883 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 91.3 m -90.7 106.09 18.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 51.43 110.865 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -97.64 156.01 36.57 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.539 0.685 . . . . 75.32 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.3 Cg_endo -69.78 157.83 59.0 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.257 . . . . 74.21 112.366 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 8.4 mmm -128.64 128.13 43.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.2 110.879 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 9.2 m -95.39 178.89 5.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 71.22 110.865 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . 0.4 ' HA ' ' HB2' ' A' ' 615' ' ' LYS . 26.7 p90 -68.24 -28.06 66.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 74.1 110.907 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.13 -61.1 2.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 62.33 110.925 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -29.17 69.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 74.12 110.899 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.753 ' HA ' HD23 ' A' ' 618' ' ' LEU . 69.5 mttt -66.66 -60.54 2.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 64.02 110.886 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.645 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -49.46 -28.11 4.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 73.12 110.894 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -76.17 -42.41 46.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 72.24 110.852 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.753 HD23 ' HA ' ' A' ' 615' ' ' LYS . 0.5 OUTLIER -66.61 -33.38 75.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.292 -0.413 . . . . 63.02 110.863 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.5 -50.21 70.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 71.3 110.849 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 14.7 tp -74.99 -44.49 47.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 65.52 110.97 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -50.01 -61.17 2.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.195 -0.457 . . . . 61.53 110.915 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.767 HD13 HG11 ' A' ' 633' ' ' VAL . 85.4 mt -55.78 -34.99 38.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 61.31 111.103 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -62.31 -35.78 80.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 60.42 110.889 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -29.0 66.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 74.05 110.942 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.68 161.04 77.71 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 75.11 110.904 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.61 33.89 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.663 2.242 . . . . 75.13 112.337 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . . . . . . . . . . . -50.63 -41.31 42.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 64.42 112.493 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -49.76 -40.06 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.377 . . . . 70.14 110.885 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -52.29 19.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 41.13 110.952 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.768 HD21 HD12 ' B' ' 403' ' ' LEU . 0.6 OUTLIER -54.75 -51.94 64.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 72.0 110.948 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -44.83 -46.0 9.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.776 -0.726 . . . . 61.4 112.443 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -41.42 99.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.359 . . . . 75.34 110.897 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.767 HG11 HD13 ' A' ' 622' ' ' ILE . 87.3 t -69.55 -59.69 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 43.23 111.085 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 630' ' ' LEU . 5.9 t -47.78 -33.51 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 61.41 111.105 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -47.37 83.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.823 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.44 HG21 ' CG ' ' A' ' 666' ' ' GLU . 2.1 mt -50.78 -59.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 75.11 111.14 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.537 HD13 HD13 ' A' ' 654' ' ' ILE . 13.2 mt -66.13 -23.7 32.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 74.35 111.076 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.38 -37.98 85.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 35.3 110.953 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.79 -24.19 15.56 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.902 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -78.49 -32.62 48.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.869 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.83 115.39 51.71 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.64 0.733 . . . . 51.02 110.84 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -39.37 6.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 75.2 112.361 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 2.0 t -54.91 -33.57 62.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.896 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.68 87.83 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 50.11 110.938 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -113.35 41.35 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.885 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -117.7 142.77 46.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 63.42 110.908 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.19 7.49 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 42.11 110.823 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . 0.422 ' HA ' ' HD2' ' A' ' 649' ' ' PRO . 3.2 t30 -104.05 99.36 16.45 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.622 0.725 . . . . 73.01 110.951 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 648' ' ' ASN . 53.9 Cg_endo -69.73 -8.0 22.48 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.728 2.285 . . . . 74.44 112.354 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . 0.455 ' HA ' ' CG ' ' B' ' 405' ' ' ARG . 1.5 t70 -78.6 0.44 26.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 61.31 110.85 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.53 ' HA ' HG22 ' B' ' 404' ' ' THR . 0.3 OUTLIER -144.24 124.31 13.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 74.45 110.833 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.468 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.56 140.58 28.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 73.51 111.162 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -118.14 98.56 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 70.12 110.881 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.792 HD12 HD23 ' B' ' 403' ' ' LEU . 18.1 mt -96.21 108.97 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 65.13 111.116 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -119.58 103.73 9.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 70.44 110.913 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.745 ' CZ ' HD21 ' A' ' 618' ' ' LEU . 19.6 m-85 -60.16 -30.54 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 72.45 110.883 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -50.66 -31.6 16.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 72.24 110.884 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 15.1 t -114.35 -24.52 8.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.194 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . . . . . . . . . 5.4 tp -55.56 153.65 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 70.34 110.946 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . 0.69 ' O ' HD12 ' A' ' 664' ' ' LEU . 0.1 OUTLIER -88.11 161.49 43.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.518 0.675 . . . . 70.55 110.915 179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . 0.408 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 54.1 Cg_endo -69.75 -33.52 16.46 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.714 2.276 . . . . 63.21 112.324 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 1.5 t -57.53 -53.17 61.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 60.23 110.887 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.675 ' O ' HD22 ' A' ' 667' ' ' LEU . 94.7 m -67.11 -46.34 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 53.22 111.138 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.69 HD12 ' O ' ' A' ' 660' ' ' LYS . 0.2 OUTLIER -49.47 -47.31 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.284 -0.416 . . . . 73.44 110.928 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 1.5 ttt-85 -63.6 -31.84 73.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.88 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . 0.44 ' CG ' HG21 ' A' ' 636' ' ' ILE . 4.0 tp10 -56.26 -56.06 25.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 63.5 110.884 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.675 HD22 ' O ' ' A' ' 663' ' ' THR . 0.3 OUTLIER -51.69 -57.76 8.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 71.24 110.923 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.598 ' HA ' HG12 ' A' ' 671' ' ' VAL . 3.1 tt0 -51.83 -35.07 43.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 64.14 110.91 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -33.56 70.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 71.51 110.863 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -81.86 -56.44 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.916 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' ' 668' ' ' GLU . 4.1 p -55.57 -31.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 70.43 111.15 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 58.8 m -75.06 -35.74 61.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 74.03 111.188 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 8.9 t -72.73 -32.35 65.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 64.34 110.885 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 1.7 t -82.06 -47.71 12.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 72.02 110.871 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -91.21 14.62 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.885 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 59.01 -171.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 71.54 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -141.01 122.32 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.852 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 17.8 tttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 53.42 110.876 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.76 0.314 . . . . 54.03 111.188 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.518 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 12.5 m95 -76.77 170.21 16.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 64.23 110.877 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -155.6 172.73 17.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.235 -0.439 . . . . 65.04 110.877 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.5 HG23 HD13 ' B' ' 403' ' ' LEU . 3.7 p -140.94 154.58 21.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 41.23 111.123 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -160.88 123.21 3.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 63.05 110.84 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.19 151.78 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.11 110.862 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.47 -172.22 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.21 110.878 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -51.66 -31.93 27.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 64.35 110.909 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . 0.423 ' HB2' ' HB3' ' B' ' 400' ' ' LYS . 3.9 m-20 -47.37 163.99 0.25 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.563 0.697 . . . . 70.21 110.922 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -18.53 37.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.795 2.33 . . . . 72.55 112.368 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.645 HD21 ' HA ' ' A' ' 616' ' ' ARG . 0.1 OUTLIER -178.55 60.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 74.53 110.865 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' B' ' 397' ' ' ASN . 12.3 ttmt -106.31 92.09 3.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.954 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.71 HD12 HD21 ' B' ' 403' ' ' LEU . 1.0 OUTLIER -83.3 110.64 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.42 111.07 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.14 107.97 19.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 63.55 110.875 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.792 HD23 HD12 ' A' ' 654' ' ' ILE . 3.6 mm? -93.55 142.14 27.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.172 -0.467 . . . . 72.4 110.913 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.53 HG22 ' HA ' ' A' ' 651' ' ' GLU . 56.1 p -149.18 141.1 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 51.1 111.147 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . 0.455 ' CG ' ' HA ' ' A' ' 650' ' ' ASP . 4.3 mtt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 61.14 110.878 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.812 0.339 . . . . 54.55 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.6 -74.6 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 72.35 110.876 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 51.88 35.0 14.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 74.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -179.8 35.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 74.4 110.931 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -79.8 136.79 36.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.113 -0.494 . . . . 73.23 110.88 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -92.24 -34.2 14.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 53.05 110.818 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.22 18.8 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 71.23 110.921 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' CYS . . . . . . . . . . . . . 6.3 p -50.7 107.26 0.16 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.459 . . . . 64.43 110.857 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.2 mmtp -83.65 153.3 64.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.578 0.704 . . . . 63.42 110.914 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' PRO . . . . . 0.403 ' HA ' ' HB3' ' A' ' 661' ' ' PRO . 54.8 Cg_endo -69.74 150.0 67.76 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.62 2.214 . . . . 74.03 112.353 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' MET . . . . . . . . . . . . . 18.0 mmm -116.12 106.84 14.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 64.3 110.922 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.7 155.76 40.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 71.13 110.838 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -49.5 -31.78 10.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 70.05 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -62.56 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.846 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -70.71 -30.72 67.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 63.45 110.816 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' LYS . . . . . 0.728 ' HG2' HD22 ' A' ' 664' ' ' LEU . 5.6 mtmp? -64.14 -50.35 68.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.884 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' ARG . . . . . 0.658 ' HA ' HD21 ' B' ' 399' ' ' LEU . 0.0 OUTLIER -56.36 -31.5 63.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.888 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -39.84 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 75.12 110.936 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 622' ' ' ILE . 4.1 mm? -60.45 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.45 110.836 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.33 -54.46 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 54.03 110.83 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' LEU . . . . . . . . . . . . . 1.2 tp -59.82 -51.1 71.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 61.32 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' ASP . . . . . 0.646 ' HB3' HG21 ' A' ' 671' ' ' VAL . 1.2 m-20 -49.2 -59.51 3.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.292 -0.413 . . . . 70.13 110.902 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' ILE . . . . . 0.819 HG22 HD12 ' A' ' 630' ' ' LEU . 3.4 mt -63.33 -33.35 60.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.101 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' ASN . . . . . 0.557 ' OD1' HG11 ' B' ' 392' ' ' VAL . 0.9 OUTLIER -62.14 -41.48 98.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.929 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -77.18 -28.49 54.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.838 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' LEU . . . . . 0.783 HD11 HD13 ' A' ' 675' ' ' LEU . 3.9 mp -63.07 160.84 35.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 73.35 110.946 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 164.64 33.8 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.691 2.261 . . . . 74.2 112.323 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' GLY . . . . . 0.404 ' HA3' HG22 ' B' ' 389' ' ' THR . . . -51.35 -51.38 37.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 61.1 112.544 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -49.95 -39.34 40.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.379 . . . . 71.3 110.86 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.74 ' HB3' HD23 ' A' ' 625' ' ' LEU . 0.0 OUTLIER -68.68 -35.95 77.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 74.11 110.926 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' LEU . . . . . 0.819 HD12 HG22 ' A' ' 622' ' ' ILE . 0.6 OUTLIER -71.58 -52.18 19.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 71.22 110.944 179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' GLY . . . . . . . . . . . . . . . -43.56 -40.64 5.07 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.802 -0.713 . . . . 65.25 112.462 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.55 -47.07 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 75.01 110.883 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' VAL . . . . . 0.796 HG21 HG12 ' A' ' 622' ' ' ILE . 89.5 t -63.23 -58.12 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 63.32 111.12 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' VAL . . . . . 0.672 HG12 HE21 ' A' ' 638' ' ' GLN . 7.9 t -50.01 -34.62 10.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 74.54 111.129 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -37.34 84.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 72.4 110.895 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' ILE . . . . . 0.464 ' HB ' HD11 ' A' ' 667' ' ' LEU . 1.0 OUTLIER -70.55 -58.72 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 72.04 111.144 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' ILE . . . . . 0.543 HD13 HD13 ' A' ' 654' ' ' ILE . 47.3 mt -55.17 -40.37 55.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 63.2 111.189 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' GLN . . . . . 0.672 HE21 HG12 ' A' ' 634' ' ' VAL . 2.9 pt20 -75.33 -14.19 60.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 75.1 110.878 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' SER . . . . . . . . . . . . . 14.9 t -88.38 -26.03 22.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.53 110.883 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -103.55 -34.51 8.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 61.02 110.843 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' GLU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 642' ' ' PRO . 1.3 tt0 -50.24 107.24 0.76 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.74 . . . . 74.55 110.856 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 641' ' ' GLU . 53.8 Cg_endo -69.84 -39.16 6.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.626 2.217 . . . . 73.12 112.333 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.49 -34.65 67.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.54 110.856 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' ' 638' ' ' GLN . 2.8 tp -49.03 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 65.43 110.91 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 45.62 45.86 11.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 75.14 110.93 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.26 155.03 39.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 73.14 110.867 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' SER . . . . . . . . . . . . . 7.4 m -98.75 8.11 45.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 65.23 110.819 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -107.58 91.9 7.84 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.632 0.729 . . . . 75.2 110.949 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.8 37.3 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.719 2.279 . . . . 64.3 112.317 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -8.3 52.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 54.41 110.859 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' GLU . . . . . 0.445 ' HA ' HG22 ' B' ' 404' ' ' THR . 4.8 tt0 -140.61 132.52 27.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.864 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' ILE . . . . . 0.489 HG21 HG13 ' A' ' 634' ' ' VAL . 0.0 OUTLIER -142.27 143.76 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.482 . . . . 72.43 111.139 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.87 97.75 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 65.54 110.915 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' ILE . . . . . 0.819 HD12 HD23 ' B' ' 403' ' ' LEU . 22.0 mt -89.97 108.89 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 75.31 111.155 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' ASP . . . . . 0.581 ' HB2' HG22 ' A' ' 658' ' ' THR . 0.8 OUTLIER -114.93 94.19 4.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 74.11 110.843 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' PHE . . . . . 0.695 ' CE2' HD12 ' B' ' 399' ' ' LEU . 7.2 m-30 -51.88 -27.82 14.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 71.5 110.903 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -54.22 -35.15 62.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 74.33 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.581 HG22 ' HB2' ' A' ' 655' ' ' ASP . 7.6 t -112.5 -20.94 11.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 65.13 111.094 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' LEU . . . . . 0.486 HD23 ' HG ' ' A' ' 664' ' ' LEU . 5.5 tp -55.39 144.79 24.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.21 110.982 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -88.39 161.45 42.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 71.01 110.841 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' PRO . . . . . 0.403 ' HB3' ' HA ' ' A' ' 609' ' ' PRO . 53.5 Cg_endo -69.76 -38.04 8.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 64.01 112.29 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -50.9 -48.73 60.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 53.43 110.879 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' THR . . . . . 0.659 ' O ' HD22 ' A' ' 667' ' ' LEU . 84.7 m -70.94 -49.92 40.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 61.24 111.142 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' LEU . . . . . 0.728 HD22 ' HG2' ' A' ' 615' ' ' LYS . 0.3 OUTLIER -48.95 -48.27 43.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.956 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -63.59 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 71.14 110.942 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.73 -56.55 19.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.54 110.874 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 663' ' ' THR . 0.4 OUTLIER -51.13 -47.7 61.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.45 110.892 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' GLU . . . . . 0.606 ' HA ' HD11 ' A' ' 618' ' ' LEU . 43.8 tt0 -51.97 -35.49 46.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 72.33 110.884 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.86 74.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 72.14 110.91 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -83.43 -51.82 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 61.54 110.977 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' VAL . . . . . 0.646 HG21 ' HB3' ' A' ' 621' ' ' ASP . 5.0 p -56.57 -32.09 36.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 74.04 111.156 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' THR . . . . . . . . . . . . . 97.7 m -78.76 -34.62 45.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 52.24 111.145 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' SER . . . . . . . . . . . . . 7.0 t -69.06 -32.95 72.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 54.21 110.907 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' CYS . . . . . . . . . . . . . 79.9 m -87.38 -50.51 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.783 HD13 HD11 ' A' ' 625' ' ' LEU . 12.8 tp -66.97 -28.09 67.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 74.03 110.898 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.94 41.17 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 74.22 110.856 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.56 169.15 3.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 75.55 110.934 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' LYS . . . . . . . . . . . . . 1.2 tttp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 74.43 110.955 179.798 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 389' ' ' THR . . . . . 0.404 HG22 ' HA3' ' A' ' 627' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.808 0.337 . . . . 73.22 111.133 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 390' ' ' TRP . . . . . 0.541 ' CZ3' HG11 ' A' ' 634' ' ' VAL . 7.6 m95 -88.56 173.7 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 64.21 110.936 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 391' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -146.13 161.17 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 75.43 110.845 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 392' ' ' VAL . . . . . 0.557 HG11 ' OD1' ' A' ' 623' ' ' ASN . 3.9 p -137.81 142.24 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 70.03 111.178 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 393' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -141.64 111.19 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 71.44 110.923 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 394' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 158.44 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 73.54 110.877 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 395' ' ' SER . . . . . . . . . . . . . 7.8 t -124.99 -170.91 2.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 63.43 110.908 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 396' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -63.58 -24.5 67.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 71.04 110.994 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 397' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -45.75 162.37 0.24 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.671 0.748 . . . . 74.03 110.896 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 398' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -17.47 37.28 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 73.32 112.327 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 399' ' ' LEU . . . . . 0.695 HD12 ' CE2' ' A' ' 656' ' ' PHE . 0.2 OUTLIER -179.33 60.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 63.53 110.89 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 400' ' ' LYS . . . . . . . . . . . . . 11.9 ttmt -112.07 121.48 45.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.902 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 401' ' ' ILE . . . . . 0.439 HD12 HD21 ' B' ' 403' ' ' LEU . 0.8 OUTLIER -122.11 113.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 72.42 111.183 179.861 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 402' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.07 19.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 75.24 110.881 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 403' ' ' LEU . . . . . 0.819 HD23 HD12 ' A' ' 654' ' ' ILE . 3.2 mm? -96.8 138.48 34.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 72.42 110.927 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 404' ' ' THR . . . . . 0.445 HG22 ' HA ' ' A' ' 651' ' ' GLU . 25.5 p -148.31 143.24 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 72.24 111.163 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 405' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 72.01 110.845 -179.955 . . . . . . . . 0 0 . 1 stop_ save_